(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine

C19H22ClNO — CID 46888147

IUPAC(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine
SMILESClc1ccc(Cc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C19H22ClNO/c20-17-8-4-15(5-9-17)13-16-6-10-19(11-7-16)22-14-18-3-1-2-12-21-18/h4-11,18,21H,1-3,12-14H2/t18-/m0/s1
InChIKeyDSNLDHKZQOSFIC-SFHVURJKSA-N
MW315.84 g/mol
LogP4.45
Rot. Bonds5

About (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine

(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine (PubChem CID 46888147) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine
PubChem CID46888147
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine
SMILESClc1ccc(Cc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C19H22ClNO/c20-17-8-4-15(5-9-17)13-16-6-10-19(11-7-16)22-14-18-3-1-2-12-21-18/h4-11,18,21H,1-3,12-14H2/t18-/m0/s1
InChIKeyDSNLDHKZQOSFIC-SFHVURJKSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine (CID 46888147) is (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine is Clc1ccc(Cc2ccc(OC[C@@H]3CCCCN3)cc2)cc1.
What is the InChIKey of (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine?
The InChIKey is DSNLDHKZQOSFIC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-17-8-4-15(5-9-17)13-16-6-10-19(11-7-16)22-14-18-3-1-2-12-21-18/h4-11,18,21H,1-3,12-14H2/t18-/m0/s1.
What are the key properties of (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine?
(2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine has a molecular weight of 315.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidine is sourced from PubChem (CID 46888147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).