3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

C18H34F2N2 — CID 170569319

IUPAC3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(C(F)(F)CCCC(C)C)CC1)NC(C)C
InChIInChI=1S/C18H34F2N2/c1-14(2)7-6-10-18(19,20)17-8-11-22(12-9-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3
InChIKeyWOHHKQRMFYUGMM-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.67
Rot. Bonds9

About 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine

3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (PubChem CID 170569319) has the molecular formula C18H34F2N2 and a molecular weight of 316.48 g/mol. Its IUPAC name is 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
PubChem CID170569319
Molecular FormulaC18H34F2N2
Molecular Weight316.48 g/mol
Exact Mass316.27
IUPAC Name3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCC(C(F)(F)CCCC(C)C)CC1)NC(C)C
InChIInChI=1S/C18H34F2N2/c1-14(2)7-6-10-18(19,20)17-8-11-22(12-9-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3
InChIKeyWOHHKQRMFYUGMM-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine with MolForge

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Related Compounds

(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
CID 143486970
3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569223
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
CID 170569254
3-[4-(5-methylhexyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569295
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine;ethane
CID 170569354
3-[4-fluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569417
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
CID 170569355
2-N-methyl-1-N-(3-methylidenehex-1-en-2-yl)-1-N-(5-non-1-en-2-ylpiperidin-3-yl)butane-1,2-diamine
CID 134570240
2-N-(5-ethyl-3-methylnonan-4-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 135193558
N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine
CID 145133479
3-[4-(6-methylheptyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170371152

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine (CID 170569319) is 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCC(C(F)(F)CCCC(C)C)CC1)NC(C)C.
What is the InChIKey of 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is WOHHKQRMFYUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2/c1-14(2)7-6-10-18(19,20)17-8-11-22(12-9-17)13-16(5)21-15(3)4/h14-15,17,21H,5-13H2,1-4H3.
What are the key properties of 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine?
3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 316.48 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 170569319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).