1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C21H27ClN2O2S — CID 118308428

IUPAC1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc34)CC2)CC1
InChIInChI=1S/C21H27ClN2O2S/c1-16-8-12-23(13-9-16)17-10-14-24(15-11-17)27(25,26)21-7-6-20(22)18-4-2-3-5-19(18)21/h2-7,16-17H,8-15H2,1H3
InChIKeyAZONGVGCENLDCI-UHFFFAOYSA-N
MW406.98 g/mol
LogP4.38
Rot. Bonds3

About 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308428) has the molecular formula C21H27ClN2O2S and a molecular weight of 406.98 g/mol. Its IUPAC name is 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308428
Molecular FormulaC21H27ClN2O2S
Molecular Weight406.98 g/mol
Exact Mass406.15
IUPAC Name1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc34)CC2)CC1
InChIInChI=1S/C21H27ClN2O2S/c1-16-8-12-23(13-9-16)17-10-14-24(15-11-17)27(25,26)21-7-6-20(22)18-4-2-3-5-19(18)21/h2-7,16-17H,8-15H2,1H3
InChIKeyAZONGVGCENLDCI-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-(4-Chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 671594
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-(1-naphthalenylsulfonyl)-piperidine
CID 10597140
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437
N-methyl-N-[(2R)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 11793826
Naphthalene-1-sulfonic acid methyl-[1-methyl-3-(3-methyl-piperidin-1-yl)-propyl]-amide
CID 44268087
1-[1-[3-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627957
1-[1-[2-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659836
1-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146666937
(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
CID 10715998
2-[2-(4-Methylpiperidin-1-yl)ethyl]-1-naphthalen-1-ylsulfonylpiperidine
CID 44343212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308428) is 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc34)CC2)CC1.
What is the InChIKey of 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is AZONGVGCENLDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2S/c1-16-8-12-23(13-9-16)17-10-14-24(15-11-17)27(25,26)21-7-6-20(22)18-4-2-3-5-19(18)21/h2-7,16-17H,8-15H2,1H3.
What are the key properties of 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 406.98 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).