1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine

C17H25ClN2O — CID 60978835

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESClc1ccccc1OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H25ClN2O/c18-15-6-1-2-8-17(15)21-12-11-20-10-4-5-14(13-20)16-7-3-9-19-16/h1-2,6,8,14,16,19H,3-5,7,9-13H2
InChIKeyGSKSYABLVQQYGR-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine

1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978835) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60978835
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESClc1ccccc1OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H25ClN2O/c18-15-6-1-2-8-17(15)21-12-11-20-10-4-5-14(13-20)16-7-3-9-19-16/h1-2,6,8,14,16,19H,3-5,7,9-13H2
InChIKeyGSKSYABLVQQYGR-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-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978976
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
(4aS,7aS)-6-[2-(2-methylphenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683220
6-[2-(2-ethoxyphenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682265
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347
1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
CID 63259525
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine (CID 60978835) is 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine is Clc1ccccc1OCCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is GSKSYABLVQQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-15-6-1-2-8-17(15)21-12-11-20-10-4-5-14(13-20)16-7-3-9-19-16/h1-2,6,8,14,16,19H,3-5,7,9-13H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
1-[2-(2-chlorophenoxy)ethyl]-3-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-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).