4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

C17H25FN2 — CID 64926773

IUPAC4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1ccccc1CCN1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c18-16-7-3-2-6-15(16)8-12-20-13-11-19-17(14-20)9-4-1-5-10-17/h2-3,6-7,19H,1,4-5,8-14H2
InChIKeyVDWQVZDRCUWXEK-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.98
Rot. Bonds3

About 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64926773) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64926773
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1ccccc1CCN1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c18-16-7-3-2-6-15(16)8-12-20-13-11-19-17(14-20)9-4-1-5-10-17/h2-3,6-7,19H,1,4-5,8-14H2
InChIKeyVDWQVZDRCUWXEK-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64926272
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 115882998
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 79215323
4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043482
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 79232566

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 64926773) is 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is Fc1ccccc1CCN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is VDWQVZDRCUWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-16-7-3-2-6-15(16)8-12-20-13-11-19-17(14-20)9-4-1-5-10-17/h2-3,6-7,19H,1,4-5,8-14H2.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 276.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64926773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).