4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine

C12H16Cl2N2 — CID 141012571

IUPAC4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
SMILESNN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2
InChIKeyAJABUUVWDHMKEY-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.12
Rot. Bonds2

About 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine

4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine (PubChem CID 141012571) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
PubChem CID141012571
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
SMILESNN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2
InChIKeyAJABUUVWDHMKEY-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine 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 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The IUPAC name of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine (CID 141012571) is 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine is NN1CCC(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The InChIKey is AJABUUVWDHMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2.
What are the key properties of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine has a molecular weight of 259.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 141012571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).