[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol

C18H28ClN3O — CID 126668161

IUPAC[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
SMILESCN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO
InChIInChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3
InChIKeyZJKWHOPAAMMKLB-UHFFFAOYSA-N
MW337.89 g/mol
LogP1.61
Rot. Bonds4

About [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol

[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol (PubChem CID 126668161) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
PubChem CID126668161
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
SMILESCN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO
InChIInChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3
InChIKeyZJKWHOPAAMMKLB-UHFFFAOYSA-N
XLogP1.61
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-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

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The IUPAC name of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol (CID 126668161) is [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The canonical SMILES for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol is CN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO.
What is the InChIKey of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The InChIKey is ZJKWHOPAAMMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3.
What are the key properties of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol has a molecular weight of 337.89 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 126668161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).