2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

C23H42FN3 — CID 171656973

IUPAC2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(F)(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C23H42FN3/c1-4-5-21(6-7-21)18-25-10-8-22(9-11-25)16-23(24,17-22)19-26-12-14-27(15-13-26)20(2)3/h20H,4-19H2,1-3H3
InChIKeyWEQQZBBJLVWCIN-UHFFFAOYSA-N
MW379.61 g/mol
LogP4.18
Rot. Bonds7

About 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 171656973) has the molecular formula C23H42FN3 and a molecular weight of 379.61 g/mol. Its IUPAC name is 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
PubChem CID171656973
Molecular FormulaC23H42FN3
Molecular Weight379.61 g/mol
Exact Mass379.34
IUPAC Name2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(F)(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C23H42FN3/c1-4-5-21(6-7-21)18-25-10-8-22(9-11-25)16-23(24,17-22)19-26-12-14-27(15-13-26)20(2)3/h20H,4-19H2,1-3H3
InChIKeyWEQQZBBJLVWCIN-UHFFFAOYSA-N
XLogP4.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (CID 171656973) is 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is CCCC1(CN2CCC3(CC2)CC(F)(CN2CCN(C(C)C)CC2)C3)CC1.
What is the InChIKey of 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is WEQQZBBJLVWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42FN3/c1-4-5-21(6-7-21)18-25-10-8-22(9-11-25)16-23(24,17-22)19-26-12-14-27(15-13-26)20(2)3/h20H,4-19H2,1-3H3.
What are the key properties of 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 379.61 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 171656973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).