1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine

C23H29ClN2O2S — CID 24734028

IUPAC1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine
SMILESCS(=O)(=O)c1cc(Cl)ccc1CN(C1CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-29(27,28)23-15-20(24)8-7-19(23)17-26(21-9-10-21)22-11-13-25(14-12-22)16-18-5-3-2-4-6-18/h2-8,15,21-22H,9-14,16-17H2,1H3
InChIKeySNHMFVUEUUQVBS-UHFFFAOYSA-N
MW433.02 g/mol
LogP4.37
Rot. Bonds7

About 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine

1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine (PubChem CID 24734028) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine
PubChem CID24734028
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine
SMILESCS(=O)(=O)c1cc(Cl)ccc1CN(C1CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-29(27,28)23-15-20(24)8-7-19(23)17-26(21-9-10-21)22-11-13-25(14-12-22)16-18-5-3-2-4-6-18/h2-8,15,21-22H,9-14,16-17H2,1H3
InChIKeySNHMFVUEUUQVBS-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
CID 174908025
1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine
CID 24734031
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-4-[methyl(sulfinato)amino]piperidine
CID 59098116
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine (CID 24734028) is 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine is CS(=O)(=O)c1cc(Cl)ccc1CN(C1CC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine?
The InChIKey is SNHMFVUEUUQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-29(27,28)23-15-20(24)8-7-19(23)17-26(21-9-10-21)22-11-13-25(14-12-22)16-18-5-3-2-4-6-18/h2-8,15,21-22H,9-14,16-17H2,1H3.
What are the key properties of 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine?
1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine has a molecular weight of 433.02 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 24734028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).