3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine

C10H20F2N2 — CID 105459090

IUPAC3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
SMILESCCN1CCC(C(F)(F)CCN)CC1
InChIInChI=1S/C10H20F2N2/c1-2-14-7-3-9(4-8-14)10(11,12)5-6-13/h9H,2-8,13H2,1H3
InChIKeyJYGHSDQQBHCQED-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds4

About 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine

3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine (PubChem CID 105459090) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
PubChem CID105459090
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
SMILESCCN1CCC(C(F)(F)CCN)CC1
InChIInChI=1S/C10H20F2N2/c1-2-14-7-3-9(4-8-14)10(11,12)5-6-13/h9H,2-8,13H2,1H3
InChIKeyJYGHSDQQBHCQED-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(2-fluoropropan-2-yl)piperidine
CID 122428509
3-N-(1-ethylpiperidin-4-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 55004402
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-ethyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
CID 106210468
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
5-amino-1-ethylazepan-4-ol
CID 177033460
O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
CID 117104637

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine (CID 105459090) is 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine is CCN1CCC(C(F)(F)CCN)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine?
The InChIKey is JYGHSDQQBHCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-2-14-7-3-9(4-8-14)10(11,12)5-6-13/h9H,2-8,13H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine?
3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 105459090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).