Chemical ID: 7091855

CNCC(CN1CCN(CC1)C)O
Chemical ID:
7091855
Name [?]:
1-methylamino-3-(4-methylpiperazin-1-yl)-propan-2-ol
SMILES [?]:
CNCC(CN1CCN(CC1)C)O
InChi [?]:
InChI=1/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,10,7,11,3,5,4,2,9,6,13/E:(3,4)(5,6)/rA:13cCNCCCNCCNCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H21N3O
All Atoms:34
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.82948
Area:377.391
Solvation:-3.60529
Coulombic:-33.6732
Bond Count [?]
All:13
Single:13
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.283
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-1.35
LogP (Chemaxon):-0.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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