3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine

C19H22ClNO — CID 23196644

IUPAC3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3
InChIKeyCTFZQZOEWNLSSP-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.45
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine

3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine (PubChem CID 23196644) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
PubChem CID23196644
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3
InChIKeyCTFZQZOEWNLSSP-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine (CID 23196644) is 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine is CN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The InChIKey is CTFZQZOEWNLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine has a molecular weight of 315.84 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 23196644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).