N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine

C16H24ClFN2 — CID 58624343

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)10-20(14-6-8-19-9-7-14)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,6-11H2,1-2H3
InChIKeyPQSGOQCXWGAINU-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 58624343) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID58624343
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)10-20(14-6-8-19-9-7-14)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,6-11H2,1-2H3
InChIKeyPQSGOQCXWGAINU-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 58624343) is N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine is CC(C)CN(Cc1cccc(Cl)c1F)C1CCNCC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is PQSGOQCXWGAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-12(2)10-20(14-6-8-19-9-7-14)11-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,6-11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 298.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 58624343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).