[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone

C21H25N3O2 — CID 130451414

IUPAC[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(N3CCCC3)ccc2O)CC1
InChIInChI=1S/C21H25N3O2/c25-20-9-8-18(22-10-4-5-11-22)16-19(20)23-12-14-24(15-13-23)21(26)17-6-2-1-3-7-17/h1-3,6-9,16,25H,4-5,10-15H2
InChIKeyLSDZMAMTNPRSSD-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds3

About [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone

[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 130451414) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
PubChem CID130451414
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(N3CCCC3)ccc2O)CC1
InChIInChI=1S/C21H25N3O2/c25-20-9-8-18(22-10-4-5-11-22)16-19(20)23-12-14-24(15-13-23)21(26)17-6-2-1-3-7-17/h1-3,6-9,16,25H,4-5,10-15H2
InChIKeyLSDZMAMTNPRSSD-UHFFFAOYSA-N
XLogP2.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(piperidin-1-yl)phenol
CID 130450866
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
(4-methylphenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 2960842
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone (CID 130451414) is [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2cc(N3CCCC3)ccc2O)CC1.
What is the InChIKey of [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is LSDZMAMTNPRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20-9-8-18(22-10-4-5-11-22)16-19(20)23-12-14-24(15-13-23)21(26)17-6-2-1-3-7-17/h1-3,6-9,16,25H,4-5,10-15H2.
What are the key properties of [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone?
[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 351.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 130451414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).