N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine

C19H26N2S — CID 45189224

IUPACN-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2cccs2)C1
InChIInChI=1S/C19H26N2S/c1-20(13-11-17-7-3-2-4-8-17)18-9-5-12-21(15-18)16-19-10-6-14-22-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3
InChIKeyIUDYAGVDTBBDIU-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.89
Rot. Bonds6

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

N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine (PubChem CID 45189224) has the molecular formula C19H26N2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
PubChem CID45189224
Molecular FormulaC19H26N2S
Molecular Weight314.50 g/mol
Exact Mass314.18
IUPAC NameN-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2cccs2)C1
InChIInChI=1S/C19H26N2S/c1-20(13-11-17-7-3-2-4-8-17)18-9-5-12-21(15-18)16-19-10-6-14-22-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3
InChIKeyIUDYAGVDTBBDIU-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[5-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 51633830
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45174783
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 97074219
(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
2-methyl-1-(2-phenylethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111136356

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine (CID 45189224) is N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(Cc2cccs2)C1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine?
The InChIKey is IUDYAGVDTBBDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S/c1-20(13-11-17-7-3-2-4-8-17)18-9-5-12-21(15-18)16-19-10-6-14-22-19/h2-4,6-8,10,14,18H,5,9,11-13,15-16H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine?
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine has a molecular weight of 314.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45189224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).