1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine

C17H25ClN2 — CID 63256309

IUPAC1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC(c1ccccc1Cl)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H25ClN2/c1-13(14-7-2-3-8-15(14)18)20-12-5-4-10-17(20)16-9-6-11-19-16/h2-3,7-8,13,16-17,19H,4-6,9-12H2,1H3
InChIKeyAHEYGYGYERDGQP-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine

1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256309) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256309
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC(c1ccccc1Cl)N1CCCCC1C1CCCN1
InChIInChI=1S/C17H25ClN2/c1-13(14-7-2-3-8-15(14)18)20-12-5-4-10-17(20)16-9-6-11-19-16/h2-3,7-8,13,16-17,19H,4-6,9-12H2,1H3
InChIKeyAHEYGYGYERDGQP-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274734
1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256751
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
(4aS,8aS)-4-[(1R)-1-phenylethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124857914
5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
CID 83124822
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
CID 62275062
3-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 62274891
N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline
CID 62273687
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 80557844
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81374734

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine (CID 63256309) is 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine is CC(c1ccccc1Cl)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is AHEYGYGYERDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-13(14-7-2-3-8-15(14)18)20-12-5-4-10-17(20)16-9-6-11-19-16/h2-3,7-8,13,16-17,19H,4-6,9-12H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine?
1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 292.85 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).