1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine

C15H23ClN2S — CID 63256751

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC(c1ccc(Cl)s1)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H23ClN2S/c1-11(14-7-8-15(16)19-14)18-10-3-2-6-13(18)12-5-4-9-17-12/h7-8,11-13,17H,2-6,9-10H2,1H3
InChIKeyCRISRMRSJYLRHN-UHFFFAOYSA-N
MW298.88 g/mol
LogP4.07
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine

1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256751) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256751
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC(c1ccc(Cl)s1)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H23ClN2S/c1-11(14-7-8-15(16)19-14)18-10-3-2-6-13(18)12-5-4-9-17-12/h7-8,11-13,17H,2-6,9-10H2,1H3
InChIKeyCRISRMRSJYLRHN-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256309
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274734
5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
CID 83124822
N,N-dimethyl-4-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]aniline
CID 62273687
(4aS,8aS)-4-[(1R)-1-phenylethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124857914
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478
2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918302
3-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 62274891
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 80557844
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine (CID 63256751) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine is CC(c1ccc(Cl)s1)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is CRISRMRSJYLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-11(14-7-8-15(16)19-14)18-10-3-2-6-13(18)12-5-4-9-17-12/h7-8,11-13,17H,2-6,9-10H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 298.88 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).