4-(3,4-dichlorophenyl)piperidin-4-amine

C11H14Cl2N2 — CID 118021104

IUPAC4-(3,4-dichlorophenyl)piperidin-4-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C11H14Cl2N2/c12-9-2-1-8(7-10(9)13)11(14)3-5-15-6-4-11/h1-2,7,15H,3-6,14H2
InChIKeyWIJJRBQMKSGHDG-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.53
Rot. Bonds1

About 4-(3,4-dichlorophenyl)piperidin-4-amine

4-(3,4-dichlorophenyl)piperidin-4-amine (PubChem CID 118021104) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)piperidin-4-amine
PubChem CID118021104
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name4-(3,4-dichlorophenyl)piperidin-4-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C11H14Cl2N2/c12-9-2-1-8(7-10(9)13)11(14)3-5-15-6-4-11/h1-2,7,15H,3-6,14H2
InChIKeyWIJJRBQMKSGHDG-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)piperidin-4-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)piperidin-4-amine (CID 118021104) is 4-(3,4-dichlorophenyl)piperidin-4-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)piperidin-4-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)piperidin-4-amine is NC1(c2ccc(Cl)c(Cl)c2)CCNCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)piperidin-4-amine?
The InChIKey is WIJJRBQMKSGHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-9-2-1-8(7-10(9)13)11(14)3-5-15-6-4-11/h1-2,7,15H,3-6,14H2.
What are the key properties of 4-(3,4-dichlorophenyl)piperidin-4-amine?
4-(3,4-dichlorophenyl)piperidin-4-amine has a molecular weight of 245.15 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)piperidin-4-amine is sourced from PubChem (CID 118021104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).