(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol

C13H19ClN2O — CID 171189010

IUPAC(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOCC[C@H](c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(10-12)13(4-9-17)16-7-5-15-6-8-16/h1-3,10,13,15,17H,4-9H2/t13-/m1/s1
InChIKeyTTYFRIGKEIGECC-CYBMUJFWSA-N
MW254.76 g/mol
LogP1.67
Rot. Bonds4

About (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol

(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189010) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189010
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOCC[C@H](c1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(10-12)13(4-9-17)16-7-5-15-6-8-16/h1-3,10,13,15,17H,4-9H2/t13-/m1/s1
InChIKeyTTYFRIGKEIGECC-CYBMUJFWSA-N
XLogP1.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189051
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
(3S)-3-(3,4-dibromophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189757
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol (CID 171189010) is (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol is OCC[C@H](c1cccc(Cl)c1)N1CCNCC1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is TTYFRIGKEIGECC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-3-1-2-11(10-12)13(4-9-17)16-7-5-15-6-8-16/h1-3,10,13,15,17H,4-9H2/t13-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol?
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).