N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine

C14H20ClFN2 — CID 66939240

IUPACN-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-10(12-4-3-5-13(15)14(12)16)17-11-6-8-18(2)9-7-11/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeySWKHEIBITOZLKY-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine

N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 66939240) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID66939240
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-10(12-4-3-5-13(15)14(12)16)17-11-6-8-18(2)9-7-11/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeySWKHEIBITOZLKY-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine (CID 66939240) is N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)c1cccc(Cl)c1F.
What is the InChIKey of N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is SWKHEIBITOZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(12-4-3-5-13(15)14(12)16)17-11-6-8-18(2)9-7-11/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-fluorophenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 66939240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).