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

C15H23FN2 — CID 54975188

IUPACN-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(F)c2)CC1C
InChIInChI=1S/C15H23FN2/c1-3-17-15-7-8-18(10-12(15)2)11-13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyNMZUWOUTPMMFTJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 54975188) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
PubChem CID54975188
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(F)c2)CC1C
InChIInChI=1S/C15H23FN2/c1-3-17-15-7-8-18(10-12(15)2)11-13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyNMZUWOUTPMMFTJ-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

Analyze N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine (CID 54975188) is N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine is CCNC1CCN(Cc2cccc(F)c2)CC1C.
What is the InChIKey of N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is NMZUWOUTPMMFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-15-7-8-18(10-12(15)2)11-13-5-4-6-14(16)9-13/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine?
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine 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-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).