1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine

C12H16Cl2N2 — CID 11184506

IUPAC1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-7,12H,1-4,8,15H2
InChIKeyPCGNHOFWOUARPN-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.92
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine

1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 11184506) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID11184506
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-7,12H,1-4,8,15H2
InChIKeyPCGNHOFWOUARPN-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine (CID 11184506) is 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine is NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is PCGNHOFWOUARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-7,12H,1-4,8,15H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine?
1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 259.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 11184506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).