7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane

C19H35F2N3 — CID 154671243

IUPAC7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1
InChIInChI=1S/C19H35F2N3/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21/h16-17H,4-15H2,1-3H3
InChIKeyOCLWCPZKGKSHMT-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.02
Rot. Bonds5

About 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane

7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154671243) has the molecular formula C19H35F2N3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
PubChem CID154671243
Molecular FormulaC19H35F2N3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1
InChIInChI=1S/C19H35F2N3/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21/h16-17H,4-15H2,1-3H3
InChIKeyOCLWCPZKGKSHMT-UHFFFAOYSA-N
XLogP3.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane with MolForge

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Related Compounds

2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-4-ethylpiperazine;ethane
CID 170629245
7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
CID 170063822
1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
CID 58395354
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
7-(2,2-dimethylpropyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 159552741
ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
CID 156860387
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
(3S,4S)-3-fluoro-3-methyl-1-(2-methylpropyl)piperidin-4-ol
CID 176977070
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646

Frequently Asked Questions

What is the IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane (CID 154671243) is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane is CCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1.
What is the InChIKey of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is OCLWCPZKGKSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2N3/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21/h16-17H,4-15H2,1-3H3.
What are the key properties of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane?
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 343.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).