N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine

C18H30N2O — CID 63636894

IUPACN-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCOc1cccc(CN(CCC)C2CCCNC2)c1
InChIInChI=1S/C18H30N2O/c1-3-11-20(17-8-6-10-19-14-17)15-16-7-5-9-18(13-16)21-12-4-2/h5,7,9,13,17,19H,3-4,6,8,10-12,14-15H2,1-2H3
InChIKeyZXPVEFQLQMWRSK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds8

About N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine

N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63636894) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID63636894
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCOc1cccc(CN(CCC)C2CCCNC2)c1
InChIInChI=1S/C18H30N2O/c1-3-11-20(17-8-6-10-19-14-17)15-16-7-5-9-18(13-16)21-12-4-2/h5,7,9,13,17,19H,3-4,6,8,10-12,14-15H2,1-2H3
InChIKeyZXPVEFQLQMWRSK-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine (CID 63636894) is N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine is CCCOc1cccc(CN(CCC)C2CCCNC2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is ZXPVEFQLQMWRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-20(17-8-6-10-19-14-17)15-16-7-5-9-18(13-16)21-12-4-2/h5,7,9,13,17,19H,3-4,6,8,10-12,14-15H2,1-2H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine?
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).