(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine

C17H25ClN2 — CID 69201531

IUPAC(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine
SMILESCl[C@@H]1CCCN(CCc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H25ClN2/c18-16-4-3-10-19(14-16)13-9-15-5-7-17(8-6-15)20-11-1-2-12-20/h5-8,16H,1-4,9-14H2/t16-/m1/s1
InChIKeyACPOUJQEMTWYEX-MRXNPFEDSA-N
MW292.85 g/mol
LogP3.53
Rot. Bonds4

About (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine

(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine (PubChem CID 69201531) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine
PubChem CID69201531
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine
SMILESCl[C@@H]1CCCN(CCc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H25ClN2/c18-16-4-3-10-19(14-16)13-9-15-5-7-17(8-6-15)20-11-1-2-12-20/h5-8,16H,1-4,9-14H2/t16-/m1/s1
InChIKeyACPOUJQEMTWYEX-MRXNPFEDSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine?
The IUPAC name of (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine (CID 69201531) is (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine.
What is the SMILES notation for (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine?
The canonical SMILES for (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine is Cl[C@@H]1CCCN(CCc2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine?
The InChIKey is ACPOUJQEMTWYEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25ClN2/c18-16-4-3-10-19(14-16)13-9-15-5-7-17(8-6-15)20-11-1-2-12-20/h5-8,16H,1-4,9-14H2/t16-/m1/s1.
What are the key properties of (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine?
(3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine has a molecular weight of 292.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine is sourced from PubChem (CID 69201531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).