(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone

C15H21NO — CID 154089606

IUPAC(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
SMILESCCC1CCC(C)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-3-13-10-9-12(2)16(11-13)15(17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3
InChIKeyNRSAUFKEWLXCHL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds2

About (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone

(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone (PubChem CID 154089606) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
PubChem CID154089606
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
SMILESCCC1CCC(C)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-3-13-10-9-12(2)16(11-13)15(17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3
InChIKeyNRSAUFKEWLXCHL-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734433
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 112734617
(1-benzoyl-6-methylpiperidin-3-yl) methanesulfonate
CID 144697951
2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
CID 587828
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
CID 71363306
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
1-[(2S)-5-ethyl-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 138539008
1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
CID 130640020
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737
(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734555

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone (CID 154089606) is (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone is CCC1CCC(C)N(C(=O)c2ccccc2)C1.
What is the InChIKey of (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone?
The InChIKey is NRSAUFKEWLXCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-13-10-9-12(2)16(11-13)15(17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3.
What are the key properties of (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone?
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone has a molecular weight of 231.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 154089606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).