N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine

C19H23Cl2N3 — CID 77251834

IUPACN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine
SMILESClc1ccc(C2CNCCC2NCCNc2ccccc2)cc1Cl
InChIInChI=1S/C19H23Cl2N3/c20-17-7-6-14(12-18(17)21)16-13-22-9-8-19(16)24-11-10-23-15-4-2-1-3-5-15/h1-7,12,16,19,22-24H,8-11,13H2
InChIKeyCIBQHWHGDKMOME-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.14
Rot. Bonds6

About N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine

N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine (PubChem CID 77251834) has the molecular formula C19H23Cl2N3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine
PubChem CID77251834
Molecular FormulaC19H23Cl2N3
Molecular Weight364.32 g/mol
Exact Mass363.13
IUPAC NameN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine
SMILESClc1ccc(C2CNCCC2NCCNc2ccccc2)cc1Cl
InChIInChI=1S/C19H23Cl2N3/c20-17-7-6-14(12-18(17)21)16-13-22-9-8-19(16)24-11-10-23-15-4-2-1-3-5-15/h1-7,12,16,19,22-24H,8-11,13H2
InChIKeyCIBQHWHGDKMOME-UHFFFAOYSA-N
XLogP4.14
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine?
The IUPAC name of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine (CID 77251834) is N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine is Clc1ccc(C2CNCCC2NCCNc2ccccc2)cc1Cl.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine?
The InChIKey is CIBQHWHGDKMOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3/c20-17-7-6-14(12-18(17)21)16-13-22-9-8-19(16)24-11-10-23-15-4-2-1-3-5-15/h1-7,12,16,19,22-24H,8-11,13H2.
What are the key properties of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine?
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine has a molecular weight of 364.32 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 77251834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).