N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine

C14H20F2N2 — CID 112705216

IUPACN-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESFc1cc(F)cc(CNCCN2CCCCC2)c1
InChIInChI=1S/C14H20F2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2
InChIKeyPFRJNBXUENORTG-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine

N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 112705216) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID112705216
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESFc1cc(F)cc(CNCCN2CCCCC2)c1
InChIInChI=1S/C14H20F2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2
InChIKeyPFRJNBXUENORTG-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
5-[[2-(azepan-1-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 107936212
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
2,6-ditert-butyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenol
CID 3294488

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine (CID 112705216) is N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine is Fc1cc(F)cc(CNCCN2CCCCC2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is PFRJNBXUENORTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 112705216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).