4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

C18H27FN2 — CID 64875900

IUPAC4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-17(2)13-20-18(9-4-3-5-10-18)14-21(17)12-15-7-6-8-16(19)11-15/h6-8,11,20H,3-5,9-10,12-14H2,1-2H3
InChIKeyLYSARQLSWIZXNQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.71
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64875900) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64875900
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C18H27FN2/c1-17(2)13-20-18(9-4-3-5-10-18)14-21(17)12-15-7-6-8-16(19)11-15/h6-8,11,20H,3-5,9-10,12-14H2,1-2H3
InChIKeyLYSARQLSWIZXNQ-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79263914
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875519
4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878397
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64875664
4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64876428
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64876284
2-[(3-fluorophenyl)methyl]-7,7-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 115101189

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (CID 64875900) is 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is LYSARQLSWIZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-17(2)13-20-18(9-4-3-5-10-18)14-21(17)12-15-7-6-8-16(19)11-15/h6-8,11,20H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64875900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).