[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine

C15H24N2O2 — CID 62017605

IUPAC[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCC(OC)CC1
InChIInChI=1S/C15H24N2O2/c1-18-14-5-7-17(8-6-14)11-13-9-12(10-16)3-4-15(13)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3
InChIKeyQPORDCAEECBLES-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds5

About [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine

[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 62017605) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID62017605
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCC(OC)CC1
InChIInChI=1S/C15H24N2O2/c1-18-14-5-7-17(8-6-14)11-13-9-12(10-16)3-4-15(13)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3
InChIKeyQPORDCAEECBLES-UHFFFAOYSA-N
XLogP1.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine (CID 62017605) is [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine is COc1ccc(CN)cc1CN1CCC(OC)CC1.
What is the InChIKey of [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is QPORDCAEECBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-5-7-17(8-6-14)11-13-9-12(10-16)3-4-15(13)19-2/h3-4,9,14H,5-8,10-11,16H2,1-2H3.
What are the key properties of [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine?
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62017605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).