[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C16H22ClFN2O — CID 91921717

IUPAC[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccc(F)cc2Cl)CC12CCNCC2
InChIInChI=1S/C16H22ClFN2O/c17-15-7-14(18)2-1-12(15)8-20-9-13(10-21)16(11-20)3-5-19-6-4-16/h1-2,7,13,19,21H,3-6,8-11H2
InChIKeyLGGRECNOAGEKEK-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.27
Rot. Bonds3

About [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921717) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921717
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccc(F)cc2Cl)CC12CCNCC2
InChIInChI=1S/C16H22ClFN2O/c17-15-7-14(18)2-1-12(15)8-20-9-13(10-21)16(11-20)3-5-19-6-4-16/h1-2,7,13,19,21H,3-6,8-11H2
InChIKeyLGGRECNOAGEKEK-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921717) is [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(Cc2ccc(F)cc2Cl)CC12CCNCC2.
What is the InChIKey of [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is LGGRECNOAGEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c17-15-7-14(18)2-1-12(15)8-20-9-13(10-21)16(11-20)3-5-19-6-4-16/h1-2,7,13,19,21H,3-6,8-11H2.
What are the key properties of [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 312.82 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).