1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine

C17H24Cl2N2 — CID 573661

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine
SMILESClc1ccc(CCN2CCCC(N3CCCC3)C2)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-20-8-3-4-15(13-20)21-9-1-2-10-21/h5-6,12,15H,1-4,7-11,13H2
InChIKeyXZHUMOZFKIRLFW-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine

1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine (PubChem CID 573661) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine
PubChem CID573661
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine
SMILESClc1ccc(CCN2CCCC(N3CCCC3)C2)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-20-8-3-4-15(13-20)21-9-1-2-10-21/h5-6,12,15H,1-4,7-11,13H2
InChIKeyXZHUMOZFKIRLFW-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine
CID 126388
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
BD 1063 Dihydrochloride
CID 11617161
BRL 52537 hydrochloride
CID 11315337
Piperazine, 1-[3-fluoropropyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 594236
Piperazine, 1-[5-fluoropentyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 604376
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
(2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-methyl-amine
CID 5026275
2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone
CID 5244802

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine (CID 573661) is 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine is Clc1ccc(CCN2CCCC(N3CCCC3)C2)cc1Cl.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine?
The InChIKey is XZHUMOZFKIRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-20-8-3-4-15(13-20)21-9-1-2-10-21/h5-6,12,15H,1-4,7-11,13H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine?
1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine has a molecular weight of 327.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 573661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).