1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

C17H22N2S — CID 4846950

IUPAC1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3cccs3)CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-7,12,16,18H,8-11,13-14H2
InChIKeyYYKKOYCTVRVFSR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.50
Rot. Bonds5

About 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 4846950) 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-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID4846950
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3cccs3)CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-7,12,16,18H,8-11,13-14H2
InChIKeyYYKKOYCTVRVFSR-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-3-amine
CID 43327642
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 115616309
1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 43769320
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine
CID 30961220
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 4846950) is 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(NCc3cccs3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is YYKKOYCTVRVFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-7,12,16,18H,8-11,13-14H2.
What are the key properties of 1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-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-4-amine is sourced from PubChem (CID 4846950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).