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

C23H33N3O — CID 25274770

IUPACN-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C23H33N3O/c1-3-25(17-21-8-5-12-24-16-21)18-22-9-6-13-26(19-22)14-11-20-7-4-10-23(15-20)27-2/h4-5,7-8,10,12,15-16,22H,3,6,9,11,13-14,17-19H2,1-2H3/t22-/m0/s1
InChIKeyZBPWXTYNSHDKAJ-QFIPXVFZSA-N
MW367.54 g/mol
LogP3.87
Rot. Bonds9

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

N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 25274770) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID25274770
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1
InChIInChI=1S/C23H33N3O/c1-3-25(17-21-8-5-12-24-16-21)18-22-9-6-13-26(19-22)14-11-20-7-4-10-23(15-20)27-2/h4-5,7-8,10,12,15-16,22H,3,6,9,11,13-14,17-19H2,1-2H3/t22-/m0/s1
InChIKeyZBPWXTYNSHDKAJ-QFIPXVFZSA-N
XLogP3.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
CID 45190351
2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
CID 45180737
N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 31016991
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
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
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25308472
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25308478
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine (CID 25274770) is N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine is CCN(Cc1cccnc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1.
What is the InChIKey of N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is ZBPWXTYNSHDKAJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H33N3O/c1-3-25(17-21-8-5-12-24-16-21)18-22-9-6-13-26(19-22)14-11-20-7-4-10-23(15-20)27-2/h4-5,7-8,10,12,15-16,22H,3,6,9,11,13-14,17-19H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 367.54 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 25274770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).