Chemical ID: 4288056

CC1CCCN(C1)Cc2cc(c(c(c2)Br)O)OC
Chemical ID:
4288056
Name [?]:
2-bromo-6-methoxy-4-[(3-methyl-1-piperidyl)methyl]phenol
SMILES [?]:
CC1CCCN(C1)Cc2cc(c(c(c2)Br)O)OC
InChi [?]:
InChI=1/C14H20BrNO2/c1-10-4-3-5-16(8-10)9-11-6-12(15)14(17)13(7-11)18-2/h6-7,10,17H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,14,10,7,8,2,9,13,11,12,15,6,16,17/rA:18cCCCCCNCCCCCCCCBrOOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s12;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.90967
Area:453.486
Solvation:-3.42749
Coulombic:-29.1616
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.218
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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