(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane

C15H21FN2 — CID 97305383

IUPAC(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CC[C@@]3(CCCCN3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-14-5-3-13(4-6-14)11-18-10-8-15(12-18)7-1-2-9-17-15/h3-6,17H,1-2,7-12H2/t15-/m0/s1
InChIKeyHOHNOSNADKTQRS-HNNXBMFYSA-N
MW248.34 g/mol
LogP2.54
Rot. Bonds2

About (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane

(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane (PubChem CID 97305383) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
PubChem CID97305383
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CC[C@@]3(CCCCN3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-14-5-3-13(4-6-14)11-18-10-8-15(12-18)7-1-2-9-17-15/h3-6,17H,1-2,7-12H2/t15-/m0/s1
InChIKeyHOHNOSNADKTQRS-HNNXBMFYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 102620775
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 114349619
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane (CID 97305383) is (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane is Fc1ccc(CN2CC[C@@]3(CCCCN3)C2)cc1.
What is the InChIKey of (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane?
The InChIKey is HOHNOSNADKTQRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-5-3-13(4-6-14)11-18-10-8-15(12-18)7-1-2-9-17-15/h3-6,17H,1-2,7-12H2/t15-/m0/s1.
What are the key properties of (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane?
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane has a molecular weight of 248.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 97305383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).