1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine

C17H27FN2 — CID 174420782

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C1CCCCN1CCc1ccc(F)cc1)N(C)C
InChIInChI=1S/C17H27FN2/c1-14(19(2)3)17-6-4-5-12-20(17)13-11-15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyYJOAKDNDVLFVLE-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.17
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 174420782) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine
PubChem CID174420782
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C1CCCCN1CCc1ccc(F)cc1)N(C)C
InChIInChI=1S/C17H27FN2/c1-14(19(2)3)17-6-4-5-12-20(17)13-11-15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyYJOAKDNDVLFVLE-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine (CID 174420782) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine is CC(C1CCCCN1CCc1ccc(F)cc1)N(C)C.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is YJOAKDNDVLFVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14(19(2)3)17-6-4-5-12-20(17)13-11-15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 278.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 174420782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).