7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

C19H35F2N3 — CID 155034400

IUPAC7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1
InChIInChI=1S/C19H35F2N3/c1-4-8-23-9-5-17(19(20,21)15-23)12-22-10-6-18(7-11-22)13-24(14-18)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyZBEOAOQLWXHMKE-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.16
Rot. Bonds5

About 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 155034400) has the molecular formula C19H35F2N3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID155034400
Molecular FormulaC19H35F2N3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1
InChIInChI=1S/C19H35F2N3/c1-4-8-23-9-5-17(19(20,21)15-23)12-22-10-6-18(7-11-22)13-24(14-18)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyZBEOAOQLWXHMKE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 155034400) is 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is CCCN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1.
What is the InChIKey of 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZBEOAOQLWXHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2N3/c1-4-8-23-9-5-17(19(20,21)15-23)12-22-10-6-18(7-11-22)13-24(14-18)16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of 7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
7-[(3,3-difluoro-1-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 343.51 g/mol, XLogP of 3.16, 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-propylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155034400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).