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

C15H23FN2 — CID 43307908

IUPACN-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)C1CCCN(C)C1
InChIInChI=1S/C15H23FN2/c1-12(14-4-3-9-18(2)11-14)17-10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyKEXWCUKQUWBRQY-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 43307908) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID43307908
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)C1CCCN(C)C1
InChIInChI=1S/C15H23FN2/c1-12(14-4-3-9-18(2)11-14)17-10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyKEXWCUKQUWBRQY-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 43307908) is N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NCc1ccc(F)cc1)C1CCCN(C)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is KEXWCUKQUWBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(14-4-3-9-18(2)11-14)17-10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43307908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).