4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine

C19H22ClNO — CID 25263342

IUPAC4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine
SMILESCc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyUYHWYOZDMSEWHQ-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.69
Rot. Bonds4

About 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine

4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine (PubChem CID 25263342) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine
PubChem CID25263342
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine
SMILESCc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyUYHWYOZDMSEWHQ-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine (CID 25263342) is 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine is Cc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1.
What is the InChIKey of 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine?
The InChIKey is UYHWYOZDMSEWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3.
What are the key properties of 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine?
4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine has a molecular weight of 315.84 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenoxy)methyl]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).