1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol

C22H29N3O2 — CID 22165594

IUPAC1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
SMILESCOc1ccccc1C1(O)CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-20-7-3-2-6-19(20)22(26)11-9-18(10-12-22)24-14-16-25(17-15-24)21-8-4-5-13-23-21/h2-8,13,18,26H,9-12,14-17H2,1H3
InChIKeyFNQBSCNMUWRMJH-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol

1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 22165594) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID22165594
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
SMILESCOc1ccccc1C1(O)CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-20-7-3-2-6-19(20)22(26)11-9-18(10-12-22)24-14-16-25(17-15-24)21-8-4-5-13-23-21/h2-8,13,18,26H,9-12,14-17H2,1H3
InChIKeyFNQBSCNMUWRMJH-UHFFFAOYSA-N
XLogP3.04
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol 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

2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
CID 54414054
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-(2-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
CID 54370065
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
N-ethyl-N'-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220995
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
CID 167926790
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 139512542

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol (CID 22165594) is 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol is COc1ccccc1C1(O)CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is FNQBSCNMUWRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-20-7-3-2-6-19(20)22(26)11-9-18(10-12-22)24-14-16-25(17-15-24)21-8-4-5-13-23-21/h2-8,13,18,26H,9-12,14-17H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol?
1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 367.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 22165594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).