N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine

C16H26N2O2 — CID 742837

IUPACN-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-4-7-18-8-5-13(6-9-18)17-14-10-15(19-2)12-16(11-14)20-3/h10-13,17H,4-9H2,1-3H3
InChIKeyJPXZWXZAHSVNBJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.99
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine

N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine (PubChem CID 742837) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
PubChem CID742837
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-4-7-18-8-5-13(6-9-18)17-14-10-15(19-2)12-16(11-14)20-3/h10-13,17H,4-9H2,1-3H3
InChIKeyJPXZWXZAHSVNBJ-UHFFFAOYSA-N
XLogP2.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine (CID 742837) is N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine?
The InChIKey is JPXZWXZAHSVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-7-18-8-5-13(6-9-18)17-14-10-15(19-2)12-16(11-14)20-3/h10-13,17H,4-9H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).