2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one

C15H21NO — CID 54976202

IUPAC2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
SMILESCc1ccc(C(C)N2CCC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)13(3)16-9-8-15(17)10-12(16)2/h4-7,12-13H,8-10H2,1-3H3
InChIKeyBKFDLMPCEJIDAL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.11
Rot. Bonds2

About 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one

2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one (PubChem CID 54976202) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
PubChem CID54976202
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
SMILESCc1ccc(C(C)N2CCC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)13(3)16-9-8-15(17)10-12(16)2/h4-7,12-13H,8-10H2,1-3H3
InChIKeyBKFDLMPCEJIDAL-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
CID 54593505
4-[1-(4-methylphenyl)ethyl]cyclopentane-1,3-dione
CID 58843834
(2S)-1-[(1S)-1-(4-iodophenyl)ethyl]-2-methylpiperidine
CID 59890825
2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
CID 54975286
1-[1-(4-methylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707660
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
CID 155022245
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
1,2-di(propan-2-yl)piperidin-4-one
CID 83636375
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 114087069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one?
The IUPAC name of 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one (CID 54976202) is 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one?
The canonical SMILES for 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one is Cc1ccc(C(C)N2CCC(=O)CC2C)cc1.
What is the InChIKey of 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one?
The InChIKey is BKFDLMPCEJIDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)13(3)16-9-8-15(17)10-12(16)2/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one?
2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 54976202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).