ethane;(4-methylphenyl)-piperidin-1-ylmethanone

C17H29NO — CID 142182120

IUPACethane;(4-methylphenyl)-piperidin-1-ylmethanone
SMILESCC.CC.Cc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO.2C2H6/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3
InChIKeyNLQXLNNXKCYNBL-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.67
Rot. Bonds1

About ethane;(4-methylphenyl)-piperidin-1-ylmethanone

ethane;(4-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 142182120) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-piperidin-1-ylmethanone
PubChem CID142182120
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;(4-methylphenyl)-piperidin-1-ylmethanone
SMILESCC.CC.Cc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO.2C2H6/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3
InChIKeyNLQXLNNXKCYNBL-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of ethane;(4-methylphenyl)-piperidin-1-ylmethanone (CID 142182120) is ethane;(4-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for ethane;(4-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for ethane;(4-methylphenyl)-piperidin-1-ylmethanone is CC.CC.Cc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is NLQXLNNXKCYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2C2H6/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3.
What are the key properties of ethane;(4-methylphenyl)-piperidin-1-ylmethanone?
ethane;(4-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 263.43 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 142182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).