8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C19H28FNO — CID 18342616

IUPAC8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)CO2
InChIInChI=1S/C19H28FNO/c1-18(2,3)21-10-8-19(9-11-21)13-16(14-22-19)12-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3
InChIKeyHCZTXVGKBSNJFS-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.04
Rot. Bonds2

About 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 18342616) has the molecular formula C19H28FNO and a molecular weight of 305.44 g/mol. Its IUPAC name is 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID18342616
Molecular FormulaC19H28FNO
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)CO2
InChIInChI=1S/C19H28FNO/c1-18(2,3)21-10-8-19(9-11-21)13-16(14-22-19)12-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3
InChIKeyHCZTXVGKBSNJFS-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
US11214540, Example 21
CID 142475107
1-Oxaspiro(4.5)decane-3-methanamine, N,N-dimethyl-4-phenyl-, hydrochloride
CID 3061086
4-(4-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820598
4-(3-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820599
(3S,4R)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422405
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422724
1-[4-[(3-Fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-methylbutan-1-one
CID 124053248
1-(3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl)pyrrolidine
CID 165368308
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(tetrahydro-3-furanylmethyl)amine
CID 45198615

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 18342616) is 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)CC(Cc1ccc(F)cc1)CO2.
What is the InChIKey of 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HCZTXVGKBSNJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO/c1-18(2,3)21-10-8-19(9-11-21)13-16(14-22-19)12-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3.
What are the key properties of 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 305.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).