N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C15H22ClFN2 — CID 62539575

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCc1ccc(F)c(Cl)c1)C1CCN(C)CC1
InChIInChI=1S/C15H22ClFN2/c1-11(13-5-7-19(2)8-6-13)18-10-12-3-4-15(17)14(16)9-12/h3-4,9,11,13,18H,5-8,10H2,1-2H3
InChIKeyUGDTZIGIQFRGOL-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.30
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 62539575) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID62539575
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCc1ccc(F)c(Cl)c1)C1CCN(C)CC1
InChIInChI=1S/C15H22ClFN2/c1-11(13-5-7-19(2)8-6-13)18-10-12-3-4-15(17)14(16)9-12/h3-4,9,11,13,18H,5-8,10H2,1-2H3
InChIKeyUGDTZIGIQFRGOL-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 62539575) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CC(NCc1ccc(F)c(Cl)c1)C1CCN(C)CC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is UGDTZIGIQFRGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11(13-5-7-19(2)8-6-13)18-10-12-3-4-15(17)14(16)9-12/h3-4,9,11,13,18H,5-8,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.30, 4 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)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 62539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).