1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine

C16H26N2O2S — CID 63595825

IUPAC1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-12(17)14-8-10-18(11-9-14)13(2)15-4-6-16(7-5-15)21(3,19)20/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyXYSRYURDQFJPNJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine

1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine (PubChem CID 63595825) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
PubChem CID63595825
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-12(17)14-8-10-18(11-9-14)13(2)15-4-6-16(7-5-15)21(3,19)20/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyXYSRYURDQFJPNJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
4-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63596877
3-methylsulfonyl-1-[1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 136534212
1-[1-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 124619658
(2R)-2-ethyl-4-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiomorpholine
CID 100640488
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine (CID 63595825) is 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(C(C)c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is XYSRYURDQFJPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(17)14-8-10-18(11-9-14)13(2)15-4-6-16(7-5-15)21(3,19)20/h4-7,12-14H,8-11,17H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine?
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).