2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane

C17H25FN2 — CID 102849330

IUPAC2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25FN2/c1-14(15-6-2-3-7-16(15)18)20-11-5-9-17(13-20)8-4-10-19-12-17/h2-3,6-7,14,19H,4-5,8-13H2,1H3
InChIKeyZWCMJFNDNFLJOX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds2

About 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane

2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849330) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849330
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25FN2/c1-14(15-6-2-3-7-16(15)18)20-11-5-9-17(13-20)8-4-10-19-12-17/h2-3,6-7,14,19H,4-5,8-13H2,1H3
InChIKeyZWCMJFNDNFLJOX-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849368
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849380
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
CID 102849371
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
CID 119924252
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane (CID 102849330) is 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane is CC(c1ccccc1F)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is ZWCMJFNDNFLJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-14(15-6-2-3-7-16(15)18)20-11-5-9-17(13-20)8-4-10-19-12-17/h2-3,6-7,14,19H,4-5,8-13H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane?
2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 276.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).