(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone

C14H19NO — CID 3113337

IUPAC(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCCC1C
InChIInChI=1S/C14H19NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,7,9,12H,5-6,8,10H2,1-2H3
InChIKeyLDSRBZAVERTFSJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds1

About (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone

(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 3113337) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID3113337
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCCC1C
InChIInChI=1S/C14H19NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,7,9,12H,5-6,8,10H2,1-2H3
InChIKeyLDSRBZAVERTFSJ-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 3113337) is (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCCCC1C.
What is the InChIKey of (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LDSRBZAVERTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,7,9,12H,5-6,8,10H2,1-2H3.
What are the key properties of (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
(2-methylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 217.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3113337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).