1-methyl-4-phenoxypiperidine

C12H17NO — CID 18722998

IUPAC1-methyl-4-phenoxypiperidine
SMILESCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C12H17NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyBPPNPRNZYAGHOE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds2

About 1-methyl-4-phenoxypiperidine

1-methyl-4-phenoxypiperidine (PubChem CID 18722998) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-methyl-4-phenoxypiperidine.

Molecular Properties

Compound Name1-methyl-4-phenoxypiperidine
PubChem CID18722998
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-methyl-4-phenoxypiperidine
SMILESCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C12H17NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyBPPNPRNZYAGHOE-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxypiperidine?
The IUPAC name of 1-methyl-4-phenoxypiperidine (CID 18722998) is 1-methyl-4-phenoxypiperidine.
What is the SMILES notation for 1-methyl-4-phenoxypiperidine?
The canonical SMILES for 1-methyl-4-phenoxypiperidine is CN1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenoxypiperidine?
The InChIKey is BPPNPRNZYAGHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of 1-methyl-4-phenoxypiperidine?
1-methyl-4-phenoxypiperidine has a molecular weight of 191.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxypiperidine is sourced from PubChem (CID 18722998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).