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

C18H27ClN2O2S — CID 92865653

IUPAC(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H27ClN2O2S/c1-15-3-2-10-20(13-15)14-16-8-11-21(12-9-16)24(22,23)18-6-4-17(19)5-7-18/h4-7,15-16H,2-3,8-14H2,1H3/t15-/m1/s1
InChIKeyLPCRWKNDXOHETM-OAHLLOKOSA-N
MW370.95 g/mol
LogP3.47
Rot. Bonds4

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

(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 92865653) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID92865653
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H27ClN2O2S/c1-15-3-2-10-20(13-15)14-16-8-11-21(12-9-16)24(22,23)18-6-4-17(19)5-7-18/h4-7,15-16H,2-3,8-14H2,1H3/t15-/m1/s1
InChIKeyLPCRWKNDXOHETM-OAHLLOKOSA-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

1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287422
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865643
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (CID 92865653) is (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is C[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is LPCRWKNDXOHETM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-15-3-2-10-20(13-15)14-16-8-11-21(12-9-16)24(22,23)18-6-4-17(19)5-7-18/h4-7,15-16H,2-3,8-14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-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 (3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 92865653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).