1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

C18H27ClN2O2S — CID 46287364

IUPAC1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyPDPLIKKMSSIKOG-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.47
Rot. Bonds4

About 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (PubChem CID 46287364) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
PubChem CID46287364
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyPDPLIKKMSSIKOG-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 46287371
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
CID 23820476
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (CID 46287364) is 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is CC1CCN(CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The InChIKey is PDPLIKKMSSIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3.
What are the key properties of 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine has a molecular weight of 370.95 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 46287364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).