2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane

C15H28FN3 — CID 170612572

IUPAC2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(CC1CCN(F)CC1)C2
InChIInChI=1S/C15H28FN3/c1-17-9-4-15(5-10-17)6-11-18(13-15)12-14-2-7-19(16)8-3-14/h14H,2-13H2,1H3
InChIKeyYZVZSQMIWDTLJO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.00
Rot. Bonds2

About 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane

2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 170612572) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID170612572
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(CC1CCN(F)CC1)C2
InChIInChI=1S/C15H28FN3/c1-17-9-4-15(5-10-17)6-11-18(13-15)12-14-2-7-19(16)8-3-14/h14H,2-13H2,1H3
InChIKeyYZVZSQMIWDTLJO-UHFFFAOYSA-N
XLogP2.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane (CID 170612572) is 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CCN(CC1CCN(F)CC1)C2.
What is the InChIKey of 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is YZVZSQMIWDTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3/c1-17-9-4-15(5-10-17)6-11-18(13-15)12-14-2-7-19(16)8-3-14/h14H,2-13H2,1H3.
What are the key properties of 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane?
2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 269.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluoropiperidin-4-yl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 170612572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).