N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine

C20H27N3O — CID 133482531

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(CN2CCC(CNc3cccc(C)n3)CC2)cc1
InChIInChI=1S/C20H27N3O/c1-16-4-3-5-20(22-16)21-14-17-10-12-23(13-11-17)15-18-6-8-19(24-2)9-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,22)
InChIKeyDHJXFHUIGSUTIC-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 133482531) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
PubChem CID133482531
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(CN2CCC(CNc3cccc(C)n3)CC2)cc1
InChIInChI=1S/C20H27N3O/c1-16-4-3-5-20(22-16)21-14-17-10-12-23(13-11-17)15-18-6-8-19(24-2)9-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,22)
InChIKeyDHJXFHUIGSUTIC-UHFFFAOYSA-N
XLogP3.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 136527461
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine (CID 133482531) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine is COc1ccc(CN2CCC(CNc3cccc(C)n3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is DHJXFHUIGSUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-4-3-5-20(22-16)21-14-17-10-12-23(13-11-17)15-18-6-8-19(24-2)9-7-18/h3-9,17H,10-15H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 133482531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).