1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone

C14H19NO — CID 162399316

IUPAC1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C14H19NO/c1-11(16)13-7-4-12(5-8-13)6-9-14-3-2-10-15-14/h4-5,7-8,14-15H,2-3,6,9-10H2,1H3
InChIKeyNAFPYLQPPOCXAK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone

1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone (PubChem CID 162399316) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
PubChem CID162399316
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C14H19NO/c1-11(16)13-7-4-12(5-8-13)6-9-14-3-2-10-15-14/h4-5,7-8,14-15H,2-3,6,9-10H2,1H3
InChIKeyNAFPYLQPPOCXAK-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
4-fluoro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 58315755
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone (CID 162399316) is 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone is CC(=O)c1ccc(CCC2CCCN2)cc1.
What is the InChIKey of 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone?
The InChIKey is NAFPYLQPPOCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(16)13-7-4-12(5-8-13)6-9-14-3-2-10-15-14/h4-5,7-8,14-15H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone?
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone is sourced from PubChem (CID 162399316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).