[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone

C16H23N3O2 — CID 60936747

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23N3O2/c20-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(21)15-3-1-2-8-17-15/h4-7,15,17,20H,1-3,8-12H2
InChIKeyUNIJMNHVOFBLTN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.18
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (PubChem CID 60936747) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
PubChem CID60936747
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23N3O2/c20-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(21)15-3-1-2-8-17-15/h4-7,15,17,20H,1-3,8-12H2
InChIKeyUNIJMNHVOFBLTN-UHFFFAOYSA-N
XLogP1.18
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone 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

[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (CID 60936747) is [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is UNIJMNHVOFBLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-14-6-4-13(5-7-14)18-9-11-19(12-10-18)16(21)15-3-1-2-8-17-15/h4-7,15,17,20H,1-3,8-12H2.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 60936747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).