1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine

C17H22N2S — CID 43327642

IUPAC1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NCc3cccs3)C2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-15(7-3-1)13-19-10-4-8-16(14-19)18-12-17-9-5-11-20-17/h1-3,5-7,9,11,16,18H,4,8,10,12-14H2
InChIKeyRNEQRLTWZDNAHE-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.50
Rot. Bonds5

About 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine

1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine (PubChem CID 43327642) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
PubChem CID43327642
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NCc3cccs3)C2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-15(7-3-1)13-19-10-4-8-16(14-19)18-12-17-9-5-11-20-17/h1-3,5-7,9,11,16,18H,4,8,10,12-14H2
InChIKeyRNEQRLTWZDNAHE-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine (CID 43327642) is 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine is c1ccc(CN2CCCC(NCc3cccs3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine?
The InChIKey is RNEQRLTWZDNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-15(7-3-1)13-19-10-4-8-16(14-19)18-12-17-9-5-11-20-17/h1-3,5-7,9,11,16,18H,4,8,10,12-14H2.
What are the key properties of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine?
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine has a molecular weight of 286.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 43327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).