1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine

C14H22N2S — CID 116936276

IUPAC1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
SMILESCSc1ccc(C(N)CC2CCCCN2)cc1
InChIInChI=1S/C14H22N2S/c1-17-13-7-5-11(6-8-13)14(15)10-12-4-2-3-9-16-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3
InChIKeyDEUSPEGWPJALOG-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine

1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine (PubChem CID 116936276) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
PubChem CID116936276
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
SMILESCSc1ccc(C(N)CC2CCCCN2)cc1
InChIInChI=1S/C14H22N2S/c1-17-13-7-5-11(6-8-13)14(15)10-12-4-2-3-9-16-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3
InChIKeyDEUSPEGWPJALOG-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
CID 116936059
2-pyrrolidin-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116935941
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine
CID 96672435
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 116936289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine (CID 116936276) is 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine is CSc1ccc(C(N)CC2CCCCN2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine?
The InChIKey is DEUSPEGWPJALOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-13-7-5-11(6-8-13)14(15)10-12-4-2-3-9-16-12/h5-8,12,14,16H,2-4,9-10,15H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine?
1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116936276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).