1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

C16H22ClFN2 — CID 114857928

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1ccc(Cl)cc1CN1CCNCC12CCCCC2
InChIInChI=1S/C16H22ClFN2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyKHMHHPINXZBKLO-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.59
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 114857928) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID114857928
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1ccc(Cl)cc1CN1CCNCC12CCCCC2
InChIInChI=1S/C16H22ClFN2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyKHMHHPINXZBKLO-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64844438
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79256208
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 103050788
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119933177
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 114857928) is 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is Fc1ccc(Cl)cc1CN1CCNCC12CCCCC2.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is KHMHHPINXZBKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-14-4-5-15(18)13(10-14)11-20-9-8-19-12-16(20)6-2-1-3-7-16/h4-5,10,19H,1-3,6-9,11-12H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 296.82 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 114857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).