7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

C21H31FN2O — CID 91923671

IUPAC7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2cccc(F)c2)C12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H31FN2O/c1-25-20-16-24(19-9-5-8-18(22)14-19)21(20)10-12-23(13-11-21)15-17-6-3-2-4-7-17/h5,8-9,14,17,20H,2-4,6-7,10-13,15-16H2,1H3
InChIKeyTXHULRRLMXCWLY-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.08
Rot. Bonds4

About 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane (PubChem CID 91923671) has the molecular formula C21H31FN2O and a molecular weight of 346.49 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
PubChem CID91923671
Molecular FormulaC21H31FN2O
Molecular Weight346.49 g/mol
Exact Mass346.24
IUPAC Name7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2cccc(F)c2)C12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H31FN2O/c1-25-20-16-24(19-9-5-8-18(22)14-19)21(20)10-12-23(13-11-21)15-17-6-3-2-4-7-17/h5,8-9,14,17,20H,2-4,6-7,10-13,15-16H2,1H3
InChIKeyTXHULRRLMXCWLY-UHFFFAOYSA-N
XLogP4.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane (CID 91923671) is 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane is COC1CN(c2cccc(F)c2)C12CCN(CC1CCCCC1)CC2.
What is the InChIKey of 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The InChIKey is TXHULRRLMXCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O/c1-25-20-16-24(19-9-5-8-18(22)14-19)21(20)10-12-23(13-11-21)15-17-6-3-2-4-7-17/h5,8-9,14,17,20H,2-4,6-7,10-13,15-16H2,1H3.
What are the key properties of 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane has a molecular weight of 346.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 91923671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).