N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

C15H18Cl2N2 — CID 104726156

IUPACN-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cc(Cl)c(C)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2/c1-3-6-19-7-4-12(5-8-19)18-15-10-13(16)11(2)9-14(15)17/h1,9-10,12,18H,4-8H2,2H3
InChIKeyJJIKSVSIGBREQR-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.81
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 104726156) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID104726156
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cc(Cl)c(C)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2/c1-3-6-19-7-4-12(5-8-19)18-15-10-13(16)11(2)9-14(15)17/h1,9-10,12,18H,4-8H2,2H3
InChIKeyJJIKSVSIGBREQR-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,5-dichloro-4-methylphenyl)-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-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785160
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43789706
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 104726429
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 104726156) is N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2cc(Cl)c(C)cc2Cl)CC1.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is JJIKSVSIGBREQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-3-6-19-7-4-12(5-8-19)18-15-10-13(16)11(2)9-14(15)17/h1,9-10,12,18H,4-8H2,2H3.
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 297.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 104726156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).