3-(4-chlorophenyl)-4-methoxypiperidine

C12H16ClNO — CID 117236496

IUPAC3-(4-chlorophenyl)-4-methoxypiperidine
SMILESCOC1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyBAUSYUHFVAUJJO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.43
Rot. Bonds2

About 3-(4-chlorophenyl)-4-methoxypiperidine

3-(4-chlorophenyl)-4-methoxypiperidine (PubChem CID 117236496) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methoxypiperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methoxypiperidine
PubChem CID117236496
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(4-chlorophenyl)-4-methoxypiperidine
SMILESCOC1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKeyBAUSYUHFVAUJJO-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methoxypiperidine?
The IUPAC name of 3-(4-chlorophenyl)-4-methoxypiperidine (CID 117236496) is 3-(4-chlorophenyl)-4-methoxypiperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methoxypiperidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-methoxypiperidine is COC1CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methoxypiperidine?
The InChIKey is BAUSYUHFVAUJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methoxypiperidine?
3-(4-chlorophenyl)-4-methoxypiperidine has a molecular weight of 225.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methoxypiperidine is sourced from PubChem (CID 117236496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).