1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol

C15H22ClN3O — CID 91085209

IUPAC1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CCN(N2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C15H22ClN3O/c16-14-3-1-13(2-4-14)11-17-7-9-18(10-8-17)19-6-5-15(20)12-19/h1-4,15,20H,5-12H2
InChIKeyQZJHWJSFCIQKGP-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.44
Rot. Bonds3

About 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 91085209) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
PubChem CID91085209
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CCN(N2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C15H22ClN3O/c16-14-3-1-13(2-4-14)11-17-7-9-18(10-8-17)19-6-5-15(20)12-19/h1-4,15,20H,5-12H2
InChIKeyQZJHWJSFCIQKGP-UHFFFAOYSA-N
XLogP1.44
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-[(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carbothioamide
CID 17265862
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
CID 143255957
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol (CID 91085209) is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol is OC1CCN(N2CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is QZJHWJSFCIQKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-14-3-1-13(2-4-14)11-17-7-9-18(10-8-17)19-6-5-15(20)12-19/h1-4,15,20H,5-12H2.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 295.81 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 91085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).