N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine

C25H29N3O — CID 22620040

IUPACN-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cccc(C)n2)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H29N3O/c1-18-8-6-11-22(28-18)20-13-14-24(29-2)21(16-20)17-27-23-12-7-15-26-25(23)19-9-4-3-5-10-19/h3-6,8-11,13-14,16,23,25-27H,7,12,15,17H2,1-2H3
InChIKeyBCEUWZHKHZJJDU-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.65
Rot. Bonds6

About N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine

N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 22620040) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID22620040
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cccc(C)n2)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H29N3O/c1-18-8-6-11-22(28-18)20-13-14-24(29-2)21(16-20)17-27-23-12-7-15-26-25(23)19-9-4-3-5-10-19/h3-6,8-11,13-14,16,23,25-27H,7,12,15,17H2,1-2H3
InChIKeyBCEUWZHKHZJJDU-UHFFFAOYSA-N
XLogP4.65
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793012
N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 23276835
(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67618812
(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54104125
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
2-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenoxy]acetic acid
CID 67618187

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 22620040) is N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2cccc(C)n2)cc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is BCEUWZHKHZJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-8-6-11-22(28-18)20-13-14-24(29-2)21(16-20)17-27-23-12-7-15-26-25(23)19-9-4-3-5-10-19/h3-6,8-11,13-14,16,23,25-27H,7,12,15,17H2,1-2H3.
What are the key properties of N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine?
N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 387.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 22620040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).