1-(3,4-dichlorophenyl)piperidin-3-amine

C11H14Cl2N2 — CID 62537230

IUPAC1-(3,4-dichlorophenyl)piperidin-3-amine
SMILESNC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2
InChIKeyNJLRPQXEJMDNFX-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.92
Rot. Bonds1

About 1-(3,4-dichlorophenyl)piperidin-3-amine

1-(3,4-dichlorophenyl)piperidin-3-amine (PubChem CID 62537230) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)piperidin-3-amine
PubChem CID62537230
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(3,4-dichlorophenyl)piperidin-3-amine
SMILESNC1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2
InChIKeyNJLRPQXEJMDNFX-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-(2,3-Dichlorophenyl)piperazine
CID 851833
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(3,4-Dichlorophenyl)piperazine
CID 93601
1-(3,5-Dichlorophenyl)piperazine
CID 2736067
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)piperidin-3-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)piperidin-3-amine (CID 62537230) is 1-(3,4-dichlorophenyl)piperidin-3-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)piperidin-3-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)piperidin-3-amine is NC1CCCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)piperidin-3-amine?
The InChIKey is NJLRPQXEJMDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2.
What are the key properties of 1-(3,4-dichlorophenyl)piperidin-3-amine?
1-(3,4-dichlorophenyl)piperidin-3-amine has a molecular weight of 245.15 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)piperidin-3-amine is sourced from PubChem (CID 62537230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).