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

C15H21N3O2 — CID 60715693

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H21N3O2/c19-14-6-2-1-5-13(14)17-8-10-18(11-9-17)15(20)12-4-3-7-16-12/h1-2,5-6,12,16,19H,3-4,7-11H2
InChIKeyUQBSQEZAPJLXQH-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.79
Rot. Bonds2

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

[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 60715693) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID60715693
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C15H21N3O2/c19-14-6-2-1-5-13(14)17-8-10-18(11-9-17)15(20)12-4-3-7-16-12/h1-2,5-6,12,16,19H,3-4,7-11H2
InChIKeyUQBSQEZAPJLXQH-UHFFFAOYSA-N
XLogP0.79
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 119270199
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
(3S)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986494
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081639

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 60715693) is [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is UQBSQEZAPJLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14-6-2-1-5-13(14)17-8-10-18(11-9-17)15(20)12-4-3-7-16-12/h1-2,5-6,12,16,19H,3-4,7-11H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 0.79, 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]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 60715693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).