N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine

C15H22F2N2 — CID 103932415

IUPACN-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-11(2)10-19-7-5-12(6-8-19)18-13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyJLOWREXMYVBVFU-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine

N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103932415) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103932415
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-11(2)10-19-7-5-12(6-8-19)18-13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyJLOWREXMYVBVFU-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936249
(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
CID 62315553
N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 75476798
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103932415) is N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is JLOWREXMYVBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(2)10-19-7-5-12(6-8-19)18-13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103932415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).