9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane

C15H20ClFN2 — CID 64952975

IUPAC9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCNC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-13-9-12(3-4-14(13)17)10-19-8-7-18-15(11-19)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10-11H2
InChIKeyUSLOTSFAVJZAEO-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.20
Rot. Bonds2

About 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane

9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64952975) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64952975
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCNC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C15H20ClFN2/c16-13-9-12(3-4-14(13)17)10-19-8-7-18-15(11-19)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10-11H2
InChIKeyUSLOTSFAVJZAEO-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 115882998
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64926272
10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 102620775
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64952975) is 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane is Fc1ccc(CN2CCNC3(CCCC3)C2)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is USLOTSFAVJZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-13-9-12(3-4-14(13)17)10-19-8-7-18-15(11-19)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10-11H2.
What are the key properties of 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 282.79 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64952975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).