N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine

C17H28N2S — CID 103787492

IUPACN-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
SMILESCCSCCC(C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2S/c1-3-20-14-11-15(2)18-16-9-12-19(13-10-16)17-7-5-4-6-8-17/h4-8,15-16,18H,3,9-14H2,1-2H3
InChIKeyQQHJIZIPWOOXMO-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.78
Rot. Bonds7

About N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine

N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine (PubChem CID 103787492) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
PubChem CID103787492
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
SMILESCCSCCC(C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2S/c1-3-20-14-11-15(2)18-16-9-12-19(13-10-16)17-7-5-4-6-8-17/h4-8,15-16,18H,3,9-14H2,1-2H3
InChIKeyQQHJIZIPWOOXMO-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-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

N-pent-4-en-2-yl-1-phenylpiperidin-4-amine
CID 103902346
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
CID 103902239
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
1-(3-ethylsulfanylpropyl)-3-(1-phenylpiperidin-4-yl)urea
CID 100728941
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
CID 103776102
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
(4S)-4-phenyl-4-[(1-phenylpiperidin-4-yl)amino]butanenitrile
CID 124514875

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine (CID 103787492) is N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine is CCSCCC(C)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine?
The InChIKey is QQHJIZIPWOOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-20-14-11-15(2)18-16-9-12-19(13-10-16)17-7-5-4-6-8-17/h4-8,15-16,18H,3,9-14H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine?
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine has a molecular weight of 292.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103787492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).