11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

C18H27FN2 — CID 114349619

IUPAC11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1cc(F)ccc1CN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C18H27FN2/c1-15-12-17(19)7-6-16(15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3
InChIKeyQSYHKAUFJMVCBT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.63
Rot. Bonds2

About 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 114349619) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID114349619
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1cc(F)ccc1CN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C18H27FN2/c1-15-12-17(19)7-6-16(15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3
InChIKeyQSYHKAUFJMVCBT-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (CID 114349619) is 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is Cc1cc(F)ccc1CN1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is QSYHKAUFJMVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-15-12-17(19)7-6-16(15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3.
What are the key properties of 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 290.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 114349619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).