(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

C17H24FNO2 — CID 165424895

IUPAC(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCOc1cc(F)ccc1CN1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C17H24FNO2/c1-21-15-10-14(18)6-5-13(15)11-19-9-3-8-17(12-19)7-2-4-16(17)20/h5-6,10,16,20H,2-4,7-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyMWNSCMDSPSCNMJ-IAGOWNOFSA-N
MW293.38 g/mol
LogP2.96
Rot. Bonds3

About (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165424895) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165424895
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCOc1cc(F)ccc1CN1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C17H24FNO2/c1-21-15-10-14(18)6-5-13(15)11-19-9-3-8-17(12-19)7-2-4-16(17)20/h5-6,10,16,20H,2-4,7-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyMWNSCMDSPSCNMJ-IAGOWNOFSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
(3R,4R)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163314360
(4R,5R)-7-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165424063
2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-N-(2-methoxyphenyl)acetamide
CID 135110631
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide
CID 135107673
3-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-pyridin-2-one
CID 165420515
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091697
(1R,2S,3R,4S)-6-[(4-fluoro-2-methoxyphenyl)methyl]-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 155495846

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 165424895) is (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol is COc1cc(F)ccc1CN1CCC[C@]2(CCC[C@H]2O)C1.
What is the InChIKey of (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is MWNSCMDSPSCNMJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-21-15-10-14(18)6-5-13(15)11-19-9-3-8-17(12-19)7-2-4-16(17)20/h5-6,10,16,20H,2-4,7-9,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 293.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165424895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).