N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine

C22H32N2OS — CID 45190351

IUPACN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccsc1)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C22H32N2OS/c1-3-23(17-21-10-13-26-18-21)15-20-7-5-11-24(16-20)12-9-19-6-4-8-22(14-19)25-2/h4,6,8,10,13-14,18,20H,3,5,7,9,11-12,15-17H2,1-2H3
InChIKeyGKDRDQFBAIXGIS-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.53
Rot. Bonds9

About N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 45190351) has the molecular formula C22H32N2OS and a molecular weight of 372.58 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID45190351
Molecular FormulaC22H32N2OS
Molecular Weight372.58 g/mol
Exact Mass372.22
IUPAC NameN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccsc1)CC1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C22H32N2OS/c1-3-23(17-21-10-13-26-18-21)15-20-7-5-11-24(16-20)12-9-19-6-4-8-22(14-19)25-2/h4,6,8,10,13-14,18,20H,3,5,7,9,11-12,15-17H2,1-2H3
InChIKeyGKDRDQFBAIXGIS-UHFFFAOYSA-N
XLogP4.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
CID 45180737
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 31016991
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
tert-butyl N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 145297046

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine (CID 45190351) is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine is CCN(Cc1ccsc1)CC1CCCN(CCc2cccc(OC)c2)C1.
What is the InChIKey of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is GKDRDQFBAIXGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2OS/c1-3-23(17-21-10-13-26-18-21)15-20-7-5-11-24(16-20)12-9-19-6-4-8-22(14-19)25-2/h4,6,8,10,13-14,18,20H,3,5,7,9,11-12,15-17H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine?
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 372.58 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 45190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).