1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine

C17H25ClN2O — CID 63259525

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
SMILESClc1ccc(OCCN2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C17H25ClN2O/c18-15-3-5-16(6-4-15)21-13-12-20-10-7-14(8-11-20)17-2-1-9-19-17/h3-6,14,17,19H,1-2,7-13H2
InChIKeyWDWOCTVMQBPOTO-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine

1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259525) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID63259525
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
SMILESClc1ccc(OCCN2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C17H25ClN2O/c18-15-3-5-16(6-4-15)21-13-12-20-10-7-14(8-11-20)17-2-1-9-19-17/h3-6,14,17,19H,1-2,7-13H2
InChIKeyWDWOCTVMQBPOTO-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
6-[(4-propoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678584
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
6-[2-(3-bromophenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682101
1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978976
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine (CID 63259525) is 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine is Clc1ccc(OCCN2CCC(C3CCCN3)CC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is WDWOCTVMQBPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-15-3-5-16(6-4-15)21-13-12-20-10-7-14(8-11-20)17-2-1-9-19-17/h3-6,14,17,19H,1-2,7-13H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine?
1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 308.85 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).