1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine

C15H22ClFN2 — CID 114866557

IUPAC1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCN1CCCC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2/c1-3-19-8-4-5-11(10-18-2)15(19)13-7-6-12(16)9-14(13)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyCLDGSTYWRQJQOH-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine

1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 114866557) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
PubChem CID114866557
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCN1CCCC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2/c1-3-19-8-4-5-11(10-18-2)15(19)13-7-6-12(16)9-14(13)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyCLDGSTYWRQJQOH-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114866587
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[2-(4-bromo-2-nitrophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114385756
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114060907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine (CID 114866557) is 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine is CCN1CCCC(CNC)C1c1ccc(Cl)cc1F.
What is the InChIKey of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is CLDGSTYWRQJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-19-8-4-5-11(10-18-2)15(19)13-7-6-12(16)9-14(13)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114866557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).