[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol

C23H30ClN3O — CID 74552846

IUPAC[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(CC2CNNC2c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c24-21-9-5-4-8-19(21)14-23(17-28)10-12-27(13-11-23)16-20-15-25-26-22(20)18-6-2-1-3-7-18/h1-9,20,22,25-26,28H,10-17H2
InChIKeyKWUYOZRWPWSYHR-UHFFFAOYSA-N
MW399.97 g/mol
LogP3.42
Rot. Bonds6

About [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 74552846) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID74552846
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(CC2CNNC2c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c24-21-9-5-4-8-19(21)14-23(17-28)10-12-27(13-11-23)16-20-15-25-26-22(20)18-6-2-1-3-7-18/h1-9,20,22,25-26,28H,10-17H2
InChIKeyKWUYOZRWPWSYHR-UHFFFAOYSA-N
XLogP3.42
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-4-yl]methanol
CID 28766387
[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
CID 25275868
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 25369839
[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
CID 45173972
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56752488
(4aS,8aS)-2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 133124831
6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 75099062
1-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 26399890
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol (CID 74552846) is [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2Cl)CCN(CC2CNNC2c2ccccc2)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is KWUYOZRWPWSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c24-21-9-5-4-8-19(21)14-23(17-28)10-12-27(13-11-23)16-20-15-25-26-22(20)18-6-2-1-3-7-18/h1-9,20,22,25-26,28H,10-17H2.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 399.97 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 74552846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).