N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C20H27N3O2 — CID 47052476

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(Cc3ccccn3)CC2)c1OC
InChIInChI=1S/C20H27N3O2/c1-24-19-8-5-6-16(20(19)25-2)14-22-17-9-12-23(13-10-17)15-18-7-3-4-11-21-18/h3-8,11,17,22H,9-10,12-15H2,1-2H3
InChIKeyCOGAPABTXRDQEJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.85
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 47052476) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID47052476
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(CNC2CCN(Cc3ccccn3)CC2)c1OC
InChIInChI=1S/C20H27N3O2/c1-24-19-8-5-6-16(20(19)25-2)14-22-17-9-12-23(13-10-17)15-18-7-3-4-11-21-18/h3-8,11,17,22H,9-10,12-15H2,1-2H3
InChIKeyCOGAPABTXRDQEJ-UHFFFAOYSA-N
XLogP2.85
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154803346
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 47052476) is N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is COc1cccc(CNC2CCN(Cc3ccccn3)CC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is COGAPABTXRDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-24-19-8-5-6-16(20(19)25-2)14-22-17-9-12-23(13-10-17)15-18-7-3-4-11-21-18/h3-8,11,17,22H,9-10,12-15H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 341.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 47052476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).