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

C16H23N3O2 — CID 61175122

IUPAC[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1Cc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C16H23N3O2/c20-14-5-3-13(4-6-14)12-19-9-1-2-15(19)16(21)18-10-7-17-8-11-18/h3-6,15,17,20H,1-2,7-12H2
InChIKeyGCFQISBLXXEPOJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.79
Rot. Bonds3

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

[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61175122) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61175122
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1Cc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C16H23N3O2/c20-14-5-3-13(4-6-14)12-19-9-1-2-15(19)16(21)18-10-7-17-8-11-18/h3-6,15,17,20H,1-2,7-12H2
InChIKeyGCFQISBLXXEPOJ-UHFFFAOYSA-N
XLogP0.79
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177242
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119636461
[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114188867
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176103
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
9-[(2R)-1-benzylpyrrolidine-2-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 95193044
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228

Frequently Asked Questions

What is the IUPAC name of [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61175122) is [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C(C1CCCN1Cc1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is GCFQISBLXXEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-14-5-3-13(4-6-14)12-19-9-1-2-15(19)16(21)18-10-7-17-8-11-18/h3-6,15,17,20H,1-2,7-12H2.
What are the key properties of [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61175122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).