2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone

C18H27N3O3 — CID 83979179

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESCOc1cc(C(C(=O)N2CCCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C18H27N3O3/c1-24-16-13-14(5-6-15(16)22)17(20-11-7-19-8-12-20)18(23)21-9-3-2-4-10-21/h5-6,13,17,19,22H,2-4,7-12H2,1H3
InChIKeyHOJKQHQXJCTFSI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.36
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone

2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone (PubChem CID 83979179) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
PubChem CID83979179
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESCOc1cc(C(C(=O)N2CCCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C18H27N3O3/c1-24-16-13-14(5-6-15(16)22)17(20-11-7-19-8-12-20)18(23)21-9-3-2-4-10-21/h5-6,13,17,19,22H,2-4,7-12H2,1H3
InChIKeyHOJKQHQXJCTFSI-UHFFFAOYSA-N
XLogP1.36
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone 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-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
CID 83979107
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone (CID 83979179) is 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone is COc1cc(C(C(=O)N2CCCCC2)N2CCNCC2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The InChIKey is HOJKQHQXJCTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-16-13-14(5-6-15(16)22)17(20-11-7-19-8-12-20)18(23)21-9-3-2-4-10-21/h5-6,13,17,19,22H,2-4,7-12H2,1H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone has a molecular weight of 333.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone is sourced from PubChem (CID 83979179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).