[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone

C16H23N3O2 — CID 81126192

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-6-2-1-5-14(15)18-8-10-19(11-9-18)16(21)13-4-3-7-17-12-13/h1-2,5-6,13,17,20H,3-4,7-12H2/t13-/m1/s1
InChIKeyNRZGEEQKGOFXHC-CYBMUJFWSA-N
MW289.38 g/mol
LogP1.04
Rot. Bonds2

About [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 81126192) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID81126192
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-6-2-1-5-14(15)18-8-10-19(11-9-18)16(21)13-4-3-7-17-12-13/h1-2,5-6,13,17,20H,3-4,7-12H2/t13-/m1/s1
InChIKeyNRZGEEQKGOFXHC-CYBMUJFWSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone 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-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81118918
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone (CID 81126192) is [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone is O=C([C@@H]1CCCNC1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is NRZGEEQKGOFXHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-6-2-1-5-14(15)18-8-10-19(11-9-18)16(21)13-4-3-7-17-12-13/h1-2,5-6,13,17,20H,3-4,7-12H2/t13-/m1/s1.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.04, 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]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81126192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).