(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine

C16H20N2S — CID 45254789

IUPAC(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine
SMILESN[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1cccs1
InChIInChI=1S/C16H20N2S/c17-15-8-9-18(11-13-5-2-1-3-6-13)12-14(15)16-7-4-10-19-16/h1-7,10,14-15H,8-9,11-12,17H2/t14-,15-/m0/s1
InChIKeyHHEDGJXPNSXYPP-GJZGRUSLSA-N
MW272.42 g/mol
LogP3.06
Rot. Bonds3

About (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine

(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine (PubChem CID 45254789) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine
PubChem CID45254789
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine
SMILESN[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1cccs1
InChIInChI=1S/C16H20N2S/c17-15-8-9-18(11-13-5-2-1-3-6-13)12-14(15)16-7-4-10-19-16/h1-7,10,14-15H,8-9,11-12,17H2/t14-,15-/m0/s1
InChIKeyHHEDGJXPNSXYPP-GJZGRUSLSA-N
XLogP3.06
TPSA29.26 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
cis-(1R,2S)-2-thiophen-2-ylcyclopropan-1-amine
CID 28901769
CID 58171508
CID 58171508
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 83851213
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine?
The IUPAC name of (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine (CID 45254789) is (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine is N[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1cccs1.
What is the InChIKey of (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine?
The InChIKey is HHEDGJXPNSXYPP-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H20N2S/c17-15-8-9-18(11-13-5-2-1-3-6-13)12-14(15)16-7-4-10-19-16/h1-7,10,14-15H,8-9,11-12,17H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine?
(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine has a molecular weight of 272.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine is sourced from PubChem (CID 45254789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).