N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine

C12H16ClFN2 — CID 2846380

IUPACN-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c1-16-6-4-9(5-7-16)15-10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyBZJNYLDXTWJKII-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.99
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine

N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine (PubChem CID 2846380) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine
PubChem CID2846380
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c1-16-6-4-9(5-7-16)15-10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyBZJNYLDXTWJKII-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine (CID 2846380) is N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine?
The InChIKey is BZJNYLDXTWJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-16-6-4-9(5-7-16)15-10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine?
N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine has a molecular weight of 242.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 2846380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).