1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine

C11H21ClN2 — CID 63171000

IUPAC1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
SMILESClCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H21ClN2/c12-5-9-13-8-4-11(10-13)14-6-2-1-3-7-14/h11H,1-10H2
InChIKeyYZZLNAWRWLYKII-UHFFFAOYSA-N
MW216.76 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine

1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine (PubChem CID 63171000) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
PubChem CID63171000
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
SMILESClCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H21ClN2/c12-5-9-13-8-4-11(10-13)14-6-2-1-3-7-14/h11H,1-10H2
InChIKeyYZZLNAWRWLYKII-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 159084845
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678907
2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935954

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine (CID 63171000) is 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine is ClCCN1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine?
The InChIKey is YZZLNAWRWLYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c12-5-9-13-8-4-11(10-13)14-6-2-1-3-7-14/h11H,1-10H2.
What are the key properties of 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine?
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine has a molecular weight of 216.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 63171000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).