1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine

C14H22N2S — CID 83727457

IUPAC1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
SMILESCCSc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2S/c1-2-17-14-5-3-12(4-6-14)11-16-9-7-13(15)8-10-16/h3-6,13H,2,7-11,15H2,1H3
InChIKeyQHRLMQKWFXVGOS-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.72
Rot. Bonds4

About 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine

1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine (PubChem CID 83727457) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
PubChem CID83727457
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
SMILESCCSc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C14H22N2S/c1-2-17-14-5-3-12(4-6-14)11-16-9-7-13(15)8-10-16/h3-6,13H,2,7-11,15H2,1H3
InChIKeyQHRLMQKWFXVGOS-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
CID 3764341
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-benzylpiperidin-4-amine;piperazine
CID 68641719

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine (CID 83727457) is 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine is CCSc1ccc(CN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine?
The InChIKey is QHRLMQKWFXVGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-17-14-5-3-12(4-6-14)11-16-9-7-13(15)8-10-16/h3-6,13H,2,7-11,15H2,1H3.
What are the key properties of 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine?
1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine has a molecular weight of 250.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 83727457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).