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

C16H23N3O2 — CID 60937633

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-7-2-1-6-14(15)18-9-11-19(12-10-18)16(21)13-5-3-4-8-17-13/h1-2,6-7,13,17,20H,3-5,8-12H2
InChIKeyXESXYPUVBNMRJH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.18
Rot. Bonds2

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

[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (PubChem CID 60937633) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
PubChem CID60937633
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-7-2-1-6-14(15)18-9-11-19(12-10-18)16(21)13-5-3-4-8-17-13/h1-2,6-7,13,17,20H,3-5,8-12H2
InChIKeyXESXYPUVBNMRJH-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

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone (CID 60937633) is [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is XESXYPUVBNMRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-7-2-1-6-14(15)18-9-11-19(12-10-18)16(21)13-5-3-4-8-17-13/h1-2,6-7,13,17,20H,3-5,8-12H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone?
[4-(2-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-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 60937633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).