1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane

C17H31ClN2 — CID 145194619

IUPAC1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
SMILESCC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWIOYWDPMTDVIOF-UHFFFAOYSA-N
MW298.90 g/mol
LogP5.02
Rot. Bonds1

About 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane

1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane (PubChem CID 145194619) has the molecular formula C17H31ClN2 and a molecular weight of 298.90 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
PubChem CID145194619
Molecular FormulaC17H31ClN2
Molecular Weight298.90 g/mol
Exact Mass298.22
IUPAC Name1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
SMILESCC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWIOYWDPMTDVIOF-UHFFFAOYSA-N
XLogP5.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The IUPAC name of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane (CID 145194619) is 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane is CC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The InChIKey is WIOYWDPMTDVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane has a molecular weight of 298.90 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane is sourced from PubChem (CID 145194619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).