1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride

C19H32ClNO2S — CID 159929347

IUPAC1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)C1CCN(Cc2ccc([C@@H](C)CS(C)(=O)=O)cc2)CC1.Cl
InChIInChI=1S/C19H31NO2S.ClH/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)16(3)14-23(4,21)22;/h5-8,15-16,18H,9-14H2,1-4H3;1H/t16-;/m0./s1
InChIKeyIJUSNQMFZAADFG-NTISSMGPSA-N
MW373.99 g/mol
LogP4.12
Rot. Bonds6

About 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride

1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride (PubChem CID 159929347) has the molecular formula C19H32ClNO2S and a molecular weight of 373.99 g/mol. Its IUPAC name is 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride
PubChem CID159929347
Molecular FormulaC19H32ClNO2S
Molecular Weight373.99 g/mol
Exact Mass373.18
IUPAC Name1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)C1CCN(Cc2ccc([C@@H](C)CS(C)(=O)=O)cc2)CC1.Cl
InChIInChI=1S/C19H31NO2S.ClH/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)16(3)14-23(4,21)22;/h5-8,15-16,18H,9-14H2,1-4H3;1H/t16-;/m0./s1
InChIKeyIJUSNQMFZAADFG-NTISSMGPSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.99
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 160875718
4-tert-butyl-1-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]piperidine
CID 161262735
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
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4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
CID 171431363
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1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
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N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
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CID 103496375

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride (CID 159929347) is 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride is CC(C)C1CCN(Cc2ccc([C@@H](C)CS(C)(=O)=O)cc2)CC1.Cl.
What is the InChIKey of 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride?
The InChIKey is IJUSNQMFZAADFG-NTISSMGPSA-N. The full InChI is InChI=1S/C19H31NO2S.ClH/c1-15(2)18-9-11-20(12-10-18)13-17-5-7-19(8-6-17)16(3)14-23(4,21)22;/h5-8,15-16,18H,9-14H2,1-4H3;1H/t16-;/m0./s1.
What are the key properties of 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride?
1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride has a molecular weight of 373.99 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 159929347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).