4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride

C14H23ClN2O2S — CID 118515366

IUPAC4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CCC2(N)CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-19(17,18)13-4-2-12(3-5-13)6-7-14(15)8-10-16-11-9-14;/h2-5,16H,6-11,15H2,1H3;1H
InChIKeyCKWSSGQOERKMKF-UHFFFAOYSA-N
MW318.87 g/mol
LogP1.53
Rot. Bonds4

About 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride

4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 118515366) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride
PubChem CID118515366
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CCC2(N)CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-19(17,18)13-4-2-12(3-5-13)6-7-14(15)8-10-16-11-9-14;/h2-5,16H,6-11,15H2,1H3;1H
InChIKeyCKWSSGQOERKMKF-UHFFFAOYSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
CID 118515414
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105457986
1,3-bis[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146405663
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
CID 105445343
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 64679463

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride (CID 118515366) is 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride is CS(=O)(=O)c1ccc(CCC2(N)CCNCC2)cc1.Cl.
What is the InChIKey of 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is CKWSSGQOERKMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-19(17,18)13-4-2-12(3-5-13)6-7-14(15)8-10-16-11-9-14;/h2-5,16H,6-11,15H2,1H3;1H.
What are the key properties of 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride?
4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 118515366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).