(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine

C16H24F2N2 — CID 165142129

IUPAC(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-4-19-13-7-8-20(11(2)3)16(10-13)12-5-6-14(17)15(18)9-12/h5-6,9,11,13,16,19H,4,7-8,10H2,1-3H3/t13-,16+/m1/s1
InChIKeyAEMVWWMYHTYXBZ-CJNGLKHVSA-N
MW282.38 g/mol
LogP3.49
Rot. Bonds4

About (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine

(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 165142129) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID165142129
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-4-19-13-7-8-20(11(2)3)16(10-13)12-5-6-14(17)15(18)9-12/h5-6,9,11,13,16,19H,4,7-8,10H2,1-3H3/t13-,16+/m1/s1
InChIKeyAEMVWWMYHTYXBZ-CJNGLKHVSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-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

(2S,4R)-2-(4-fluorophenyl)-N,1-di(propan-2-yl)piperidin-4-amine
CID 176681929
2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 167460339
(2S,4R)-N,1-diethyl-2-(4-fluorophenyl)piperidin-4-amine
CID 176681817
(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen
CID 165141961
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
(2S,4R)-N,1-diethyl-2-phenylpiperidin-4-amine
CID 165141986
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925003
N-ethyl-2-methyl-1-(1-phenylpropan-2-yl)piperidin-4-amine
CID 55150861
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride
CID 18511685
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine (CID 165142129) is (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine is CCN[C@@H]1CCN(C(C)C)[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is AEMVWWMYHTYXBZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-4-19-13-7-8-20(11(2)3)16(10-13)12-5-6-14(17)15(18)9-12/h5-6,9,11,13,16,19H,4,7-8,10H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
(2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(3,4-difluorophenyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 165142129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).