1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone

C14H19ClN2O — CID 43772607

IUPAC1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-14(13(15)9-10)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyROOLCAMXMGQAKU-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.07
Rot. Bonds2

About 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone

1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone (PubChem CID 43772607) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
PubChem CID43772607
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-14(13(15)9-10)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyROOLCAMXMGQAKU-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(2-chloro-4-methylanilino)piperidine-1-carboxylate
CID 103618172
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
4-acetyl-N-(2-chloro-4-methylphenyl)-1,4-diazepane-1-carbothioamide
CID 3550646
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262468
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone (CID 43772607) is 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc(C)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is ROOLCAMXMGQAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-4-14(13(15)9-10)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone?
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 266.77 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43772607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).