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

C14H20ClFN2 — CID 61210865

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyZCQFNRBOOSPHPN-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.22
Rot. Bonds3

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

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine (PubChem CID 61210865) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
PubChem CID61210865
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyZCQFNRBOOSPHPN-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-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine (CID 61210865) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine is CC(NC1CCCN(C)C1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The InChIKey is ZCQFNRBOOSPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-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-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).