ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane

C18H35F2N3 — CID 154672526

IUPACethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCN1CCC(CN2CCC3(CN(C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C16H29F2N3.C2H6/c1-3-20-7-4-14(5-8-20)10-21-9-6-15(11-19(2)12-15)16(17,18)13-21;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyFYOPEDUWSJQOJD-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.02
Rot. Bonds3

About ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane

ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154672526) has the molecular formula C18H35F2N3 and a molecular weight of 331.50 g/mol. Its IUPAC name is ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154672526
Molecular FormulaC18H35F2N3
Molecular Weight331.50 g/mol
Exact Mass331.28
IUPAC Nameethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CCN1CCC(CN2CCC3(CN(C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C16H29F2N3.C2H6/c1-3-20-7-4-14(5-8-20)10-21-9-6-15(11-19(2)12-15)16(17,18)13-21;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyFYOPEDUWSJQOJD-UHFFFAOYSA-N
XLogP3.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane (CID 154672526) is ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane is CC.CCN1CCC(CN2CCC3(CN(C)C3)C(F)(F)C2)CC1.
What is the InChIKey of ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is FYOPEDUWSJQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3.C2H6/c1-3-20-7-4-14(5-8-20)10-21-9-6-15(11-19(2)12-15)16(17,18)13-21;1-2/h14H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 331.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154672526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).