N-[(3,5-difluorophenyl)methyl]piperidin-4-amine

C12H16F2N2 — CID 68801078

IUPACN-[(3,5-difluorophenyl)methyl]piperidin-4-amine
SMILESFc1cc(F)cc(CNC2CCNCC2)c1
InChIInChI=1S/C12H16F2N2/c13-10-5-9(6-11(14)7-10)8-16-12-1-3-15-4-2-12/h5-7,12,15-16H,1-4,8H2
InChIKeyGWJAQRRIICZJPA-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.81
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]piperidin-4-amine

N-[(3,5-difluorophenyl)methyl]piperidin-4-amine (PubChem CID 68801078) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]piperidin-4-amine
PubChem CID68801078
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]piperidin-4-amine
SMILESFc1cc(F)cc(CNC2CCNCC2)c1
InChIInChI=1S/C12H16F2N2/c13-10-5-9(6-11(14)7-10)8-16-12-1-3-15-4-2-12/h5-7,12,15-16H,1-4,8H2
InChIKeyGWJAQRRIICZJPA-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
N-[(3,5-difluorophenyl)methyl]-1,1-dioxothietan-3-amine
CID 165451307
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-[(3,5-difluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 115767964

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]piperidin-4-amine (CID 68801078) is N-[(3,5-difluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]piperidin-4-amine is Fc1cc(F)cc(CNC2CCNCC2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
The InChIKey is GWJAQRRIICZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-10-5-9(6-11(14)7-10)8-16-12-1-3-15-4-2-12/h5-7,12,15-16H,1-4,8H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]piperidin-4-amine?
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine has a molecular weight of 226.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 68801078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).