N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine

C17H28N2O — CID 115707061

IUPACN-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
SMILESCCC(NC1CCN(C)CC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-16(14-6-8-15(20-4)9-7-14)18-17-10-11-19(3)12-13(17)2/h6-9,13,16-18H,5,10-12H2,1-4H3
InChIKeyLGEVFOQPXJGJLZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine

N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115707061) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115707061
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
SMILESCCC(NC1CCN(C)CC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-16(14-6-8-15(20-4)9-7-14)18-17-10-11-19(3)12-13(17)2/h6-9,13,16-18H,5,10-12H2,1-4H3
InChIKeyLGEVFOQPXJGJLZ-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
CID 114285157
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-4-methoxyphenol
CID 104582309
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
N-[1-(5-fluoro-2-pyridinyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 114503283
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine (CID 115707061) is N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine is CCC(NC1CCN(C)CC1C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is LGEVFOQPXJGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-16(14-6-8-15(20-4)9-7-14)18-17-10-11-19(3)12-13(17)2/h6-9,13,16-18H,5,10-12H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine?
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115707061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).