1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

C18H30N2O — CID 63132884

IUPAC1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2ccc(OC)cc2)CCCNC1
InChIInChI=1S/C18H30N2O/c1-4-10-18(11-5-12-19-14-18)15-20(2)13-16-6-8-17(21-3)9-7-16/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyCKBRKIMCZJYWAO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (PubChem CID 63132884) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
PubChem CID63132884
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2ccc(OC)cc2)CCCNC1
InChIInChI=1S/C18H30N2O/c1-4-10-18(11-5-12-19-14-18)15-20(2)13-16-6-8-17(21-3)9-7-16/h6-9,19H,4-5,10-15H2,1-3H3
InChIKeyCKBRKIMCZJYWAO-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (CID 63132884) is 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is CCCC1(CN(C)Cc2ccc(OC)cc2)CCCNC1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The InChIKey is CKBRKIMCZJYWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-10-18(11-5-12-19-14-18)15-20(2)13-16-6-8-17(21-3)9-7-16/h6-9,19H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63132884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).