(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol

C14H21ClN2O2 — CID 95486981

IUPAC(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1[C@H](CCO)N1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c1-19-14-3-2-11(15)10-12(14)13(4-9-18)17-7-5-16-6-8-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m0/s1
InChIKeyAOQVRAQHJUNAPX-ZDUSSCGKSA-N
MW284.79 g/mol
LogP1.68
Rot. Bonds5

About (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol

(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 95486981) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID95486981
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1[C@H](CCO)N1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c1-19-14-3-2-11(15)10-12(14)13(4-9-18)17-7-5-16-6-8-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m0/s1
InChIKeyAOQVRAQHJUNAPX-ZDUSSCGKSA-N
XLogP1.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
1-[(1R)-1-(5-chloro-2-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171296008
1-[(1R)-1-(5-chloro-2-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171295988
(3S)-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174639
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189768
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484
(3R)-3-(5-chloro-2-methoxyphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171181830
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol (CID 95486981) is (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol is COc1ccc(Cl)cc1[C@H](CCO)N1CCNCC1.
What is the InChIKey of (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is AOQVRAQHJUNAPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-19-14-3-2-11(15)10-12(14)13(4-9-18)17-7-5-16-6-8-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 284.79 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 95486981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).