N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C20H27N3O — CID 154803346

IUPACN-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(Cc3ccncc3)CC2)c1C
InChIInChI=1S/C20H27N3O/c1-16-18(4-3-5-20(16)24-2)14-22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,19,22H,8-9,12-15H2,1-2H3
InChIKeyMNQXEIQHHSGHQJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.15
Rot. Bonds6

About N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 154803346) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID154803346
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(Cc3ccncc3)CC2)c1C
InChIInChI=1S/C20H27N3O/c1-16-18(4-3-5-20(16)24-2)14-22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,19,22H,8-9,12-15H2,1-2H3
InChIKeyMNQXEIQHHSGHQJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159053
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
1-benzyl-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159436

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 154803346) is N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is COc1cccc(CNC2CCN(Cc3ccncc3)CC2)c1C.
What is the InChIKey of N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is MNQXEIQHHSGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-18(4-3-5-20(16)24-2)14-22-19-8-12-23(13-9-19)15-17-6-10-21-11-7-17/h3-7,10-11,19,22H,8-9,12-15H2,1-2H3.
What are the key properties of N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 154803346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).