N-benzyl-1-thiophen-3-ylpiperidin-3-amine

C16H20N2S — CID 83993766

IUPACN-benzyl-1-thiophen-3-ylpiperidin-3-amine
SMILESc1ccc(CNC2CCCN(c3ccsc3)C2)cc1
InChIInChI=1S/C16H20N2S/c1-2-5-14(6-3-1)11-17-15-7-4-9-18(12-15)16-8-10-19-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2
InChIKeyUPTLFBFIFYXRMS-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.51
Rot. Bonds4

About N-benzyl-1-thiophen-3-ylpiperidin-3-amine

N-benzyl-1-thiophen-3-ylpiperidin-3-amine (PubChem CID 83993766) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-benzyl-1-thiophen-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-thiophen-3-ylpiperidin-3-amine
PubChem CID83993766
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-benzyl-1-thiophen-3-ylpiperidin-3-amine
SMILESc1ccc(CNC2CCCN(c3ccsc3)C2)cc1
InChIInChI=1S/C16H20N2S/c1-2-5-14(6-3-1)11-17-15-7-4-9-18(12-15)16-8-10-19-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2
InChIKeyUPTLFBFIFYXRMS-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83993075
N-cyclohexyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999299
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
CID 83993803
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 45250257
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-thiophen-3-ylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-thiophen-3-ylpiperidin-3-amine (CID 83993766) is N-benzyl-1-thiophen-3-ylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-thiophen-3-ylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-thiophen-3-ylpiperidin-3-amine is c1ccc(CNC2CCCN(c3ccsc3)C2)cc1.
What is the InChIKey of N-benzyl-1-thiophen-3-ylpiperidin-3-amine?
The InChIKey is UPTLFBFIFYXRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-5-14(6-3-1)11-17-15-7-4-9-18(12-15)16-8-10-19-13-16/h1-3,5-6,8,10,13,15,17H,4,7,9,11-12H2.
What are the key properties of N-benzyl-1-thiophen-3-ylpiperidin-3-amine?
N-benzyl-1-thiophen-3-ylpiperidin-3-amine has a molecular weight of 272.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-thiophen-3-ylpiperidin-3-amine is sourced from PubChem (CID 83993766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).