N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine

C16H25ClN2O2S — CID 75427998

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2S/c1-13(14-3-5-15(17)6-4-14)18-16-7-9-19(10-8-16)11-12-22(2,20)21/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyLPARWGMFNXMZNY-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine

N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 75427998) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID75427998
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC(NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2S/c1-13(14-3-5-15(17)6-4-14)18-16-7-9-19(10-8-16)11-12-22(2,20)21/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyLPARWGMFNXMZNY-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 3743586
2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
CID 18439261
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 42947101
1-[1-(4-Chlorophenyl)ethyl]-4-(3-methylsulfonylpropyl)piperazine
CID 71988832
N-[2-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 71988834
1-[1-(4-Chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 71991602
3-(4-Chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine
CID 71999873
4-[3-(4-Chlorophenyl)propyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 72003192
3-(4-Chlorophenyl)-4-(3-methylsulfonylpropyl)thiomorpholine
CID 72011953
3-(4-Chlorophenyl)-4-(2-methylsulfonylethyl)thiomorpholine
CID 72011954
N-[2-[3-(4-chlorophenyl)thiomorpholin-4-yl]ethyl]methanesulfonamide
CID 72011957
N-[1-(2-chlorophenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72012390

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine (CID 75427998) is N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine is CC(NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is LPARWGMFNXMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-13(14-3-5-15(17)6-4-14)18-16-7-9-19(10-8-16)11-12-22(2,20)21/h3-6,13,16,18H,7-12H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 344.91 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 75427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).