N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine

C17H24N2O — CID 43789706

IUPACN-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(C)c(OC)c2C)CC1
InChIInChI=1S/C17H24N2O/c1-5-10-19-11-8-15(9-12-19)18-16-7-6-13(2)17(20-4)14(16)3/h1,6-7,15,18H,8-12H2,2-4H3
InChIKeyRVSPOWPQDCRJHA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.82
Rot. Bonds4

About N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine

N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43789706) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43789706
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(C)c(OC)c2C)CC1
InChIInChI=1S/C17H24N2O/c1-5-10-19-11-8-15(9-12-19)18-16-7-6-13(2)17(20-4)14(16)3/h1,6-7,15,18H,8-12H2,2-4H3
InChIKeyRVSPOWPQDCRJHA-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785160
N-(3-methoxy-2,4-dimethylphenyl)-1-oxothian-4-amine
CID 54981964
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
CID 112561854
3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
CID 64501091
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
N-(3-methoxy-2,4-dimethylphenyl)azepan-4-amine
CID 103981427
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43789706) is N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccc(C)c(OC)c2C)CC1.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is RVSPOWPQDCRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-10-19-11-8-15(9-12-19)18-16-7-6-13(2)17(20-4)14(16)3/h1,6-7,15,18H,8-12H2,2-4H3.
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 272.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43789706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).