10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C20H29FN2O2 — CID 118746844

IUPAC10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C20H29FN2O2/c21-18-3-1-2-17(12-18)13-22-8-11-25-16-20(14-22)6-7-23(15-20)19-4-9-24-10-5-19/h1-3,12,19H,4-11,13-16H2
InChIKeyKODXQACMGQFYQC-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.53
Rot. Bonds3

About 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746844) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746844
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C20H29FN2O2/c21-18-3-1-2-17(12-18)13-22-8-11-25-16-20(14-22)6-7-23(15-20)19-4-9-24-10-5-19/h1-3,12,19H,4-11,13-16H2
InChIKeyKODXQACMGQFYQC-UHFFFAOYSA-N
XLogP2.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118745930
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
10-[(3-Methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746846
10-Benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746958
(4aS,9aS)-7-[(2-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134810665
2-[(3,4-Difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45198354
4-[3-[9-[(4-Fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine
CID 45209198
(5aS,8aS)-7-[(2-fluorophenyl)methyl]-4-(2-methoxyethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420204
10-[(3-Fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746843
10-[(3-Methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746845
10-Benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746957
4-[(4-Fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131641424

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746844) is 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is Fc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is KODXQACMGQFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-18-3-1-2-17(12-18)13-22-8-11-25-16-20(14-22)6-7-23(15-20)19-4-9-24-10-5-19/h1-3,12,19H,4-11,13-16H2.
What are the key properties of 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 348.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).