(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine

C16H20N2S — CID 67725635

IUPAC(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine
SMILESCN(c1ccsc1)[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C16H20N2S/c1-18(14-9-11-19-12-14)15-8-5-10-17-16(15)13-6-3-2-4-7-13/h2-4,6-7,9,11-12,15-17H,5,8,10H2,1H3/t15-,16-/m1/s1
InChIKeyIHXFUPRXYRAJSM-HZPDHXFCSA-N
MW272.42 g/mol
LogP3.68
Rot. Bonds3

About (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine

(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine (PubChem CID 67725635) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine
PubChem CID67725635
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine
SMILESCN(c1ccsc1)[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C16H20N2S/c1-18(14-9-11-19-12-14)15-8-5-10-17-16(15)13-6-3-2-4-7-13/h2-4,6-7,9,11-12,15-17H,5,8,10H2,1H3/t15-,16-/m1/s1
InChIKeyIHXFUPRXYRAJSM-HZPDHXFCSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-(2-ethylsulfanylphenyl)-N-methyl-2-phenylpiperidin-3-amine
CID 54262826
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
2-phenylpiperidin-3-ol
CID 18782643
N-[(1S)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]-N-methyl-2-phenylpiperidin-3-amine
CID 70278980
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
2-phenylpiperidine-3-carbaldehyde
CID 174613861
2,3-diphenylpiperazine;hydrochloride
CID 175072756

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine?
The IUPAC name of (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine (CID 67725635) is (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine.
What is the SMILES notation for (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine?
The canonical SMILES for (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine is CN(c1ccsc1)[C@@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine?
The InChIKey is IHXFUPRXYRAJSM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(14-9-11-19-12-14)15-8-5-10-17-16(15)13-6-3-2-4-7-13/h2-4,6-7,9,11-12,15-17H,5,8,10H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine?
(2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine has a molecular weight of 272.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-methyl-2-phenyl-N-thiophen-3-ylpiperidin-3-amine is sourced from PubChem (CID 67725635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).