5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane

C19H35FN2 — CID 134476719

IUPAC5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane
SMILESCC(CCC(C)(C)N1CC2(CC2)C1)N1CCC(CCF)CC1
InChIInChI=1S/C19H35FN2/c1-16(21-12-6-17(5-11-20)7-13-21)4-8-18(2,3)22-14-19(15-22)9-10-19/h16-17H,4-15H2,1-3H3
InChIKeyHPWJXTPCMDWNMT-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.10
Rot. Bonds7

About 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane

5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane (PubChem CID 134476719) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane
PubChem CID134476719
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Name5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane
SMILESCC(CCC(C)(C)N1CC2(CC2)C1)N1CCC(CCF)CC1
InChIInChI=1S/C19H35FN2/c1-16(21-12-6-17(5-11-20)7-13-21)4-8-18(2,3)22-14-19(15-22)9-10-19/h16-17H,4-15H2,1-3H3
InChIKeyHPWJXTPCMDWNMT-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane?
The IUPAC name of 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane (CID 134476719) is 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane is CC(CCC(C)(C)N1CC2(CC2)C1)N1CCC(CCF)CC1.
What is the InChIKey of 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane?
The InChIKey is HPWJXTPCMDWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN2/c1-16(21-12-6-17(5-11-20)7-13-21)4-8-18(2,3)22-14-19(15-22)9-10-19/h16-17H,4-15H2,1-3H3.
What are the key properties of 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane?
5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane has a molecular weight of 310.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2-fluoroethyl)piperidin-1-yl]-2-methylhexan-2-yl]-5-azaspiro[2.3]hexane is sourced from PubChem (CID 134476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).