(1-methylpiperidin-4-yl)-phenylmethanone

C13H17NO — CID 3577020

IUPAC(1-methylpiperidin-4-yl)-phenylmethanone
SMILESCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyRPLQRYXJBIJBFR-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.21
Rot. Bonds2

About (1-methylpiperidin-4-yl)-phenylmethanone

(1-methylpiperidin-4-yl)-phenylmethanone (PubChem CID 3577020) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-phenylmethanone
PubChem CID3577020
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1-methylpiperidin-4-yl)-phenylmethanone
SMILESCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyRPLQRYXJBIJBFR-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-phenylmethanone?
The IUPAC name of (1-methylpiperidin-4-yl)-phenylmethanone (CID 3577020) is (1-methylpiperidin-4-yl)-phenylmethanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-phenylmethanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-phenylmethanone is CN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-phenylmethanone?
The InChIKey is RPLQRYXJBIJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-phenylmethanone?
(1-methylpiperidin-4-yl)-phenylmethanone has a molecular weight of 203.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-phenylmethanone is sourced from PubChem (CID 3577020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).