1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride

C13H21ClN2O2S — CID 119959095

IUPAC1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S.ClH/c14-13-6-9-15(10-7-13)18(16,17)11-8-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
InChIKeyPNELZZRGZSSLKR-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride

1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 119959095) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID119959095
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S.ClH/c14-13-6-9-15(10-7-13)18(16,17)11-8-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
InChIKeyPNELZZRGZSSLKR-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
3-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-indole
CID 113086583
3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577246
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577294

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride (CID 119959095) is 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is PNELZZRGZSSLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c14-13-6-9-15(10-7-13)18(16,17)11-8-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H.
What are the key properties of 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride?
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).