N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine

C10H20F2N2 — CID 115407510

IUPACN-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
SMILESFC(F)CNCCCC1CCCNC1
InChIInChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h9-10,13-14H,1-8H2
InChIKeyFREVHHATJDJXHH-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.62
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine

N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine (PubChem CID 115407510) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
PubChem CID115407510
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC NameN-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
SMILESFC(F)CNCCCC1CCCNC1
InChIInChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h9-10,13-14H,1-8H2
InChIKeyFREVHHATJDJXHH-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine
CID 114100547
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63824137
N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine
CID 114125818
2,2-difluoro-N-(2-piperidin-4-ylethyl)ethanamine
CID 115407412
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
CID 19039430
(3S)-3-heptylpiperidine
CID 155456188
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
CID 114100511

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine (CID 115407510) is N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine is FC(F)CNCCCC1CCCNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine?
The InChIKey is FREVHHATJDJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h9-10,13-14H,1-8H2.
What are the key properties of N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine?
N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 115407510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).