1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

C18H30N2O — CID 83053445

IUPAC1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCCC1CCCCN1Cc1cc(CNC)ccc1OC
InChIInChI=1S/C18H30N2O/c1-4-7-17-8-5-6-11-20(17)14-16-12-15(13-19-2)9-10-18(16)21-3/h9-10,12,17,19H,4-8,11,13-14H2,1-3H3
InChIKeyDLEKGBDFXAJYMX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 83053445) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID83053445
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCCC1CCCCN1Cc1cc(CNC)ccc1OC
InChIInChI=1S/C18H30N2O/c1-4-7-17-8-5-6-11-20(17)14-16-12-15(13-19-2)9-10-18(16)21-3/h9-10,12,17,19H,4-8,11,13-14H2,1-3H3
InChIKeyDLEKGBDFXAJYMX-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
N-methyl-1-[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83062407
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 106792788
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63219760
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 83053445) is 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is CCCC1CCCCN1Cc1cc(CNC)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is DLEKGBDFXAJYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-17-8-5-6-11-20(17)14-16-12-15(13-19-2)9-10-18(16)21-3/h9-10,12,17,19H,4-8,11,13-14H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 83053445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).