(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol

C14H20N2O — CID 134279492

IUPAC(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol
SMILESCC1NCCN2C=CC(CO)C3=C2C1=CCC3
InChIInChI=1S/C14H20N2O/c1-10-12-3-2-4-13-11(9-17)5-7-16(14(12)13)8-6-15-10/h3,5,7,10-11,15,17H,2,4,6,8-9H2,1H3
InChIKeyISIFKAPAEMZZCV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds1

About (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol

(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol (PubChem CID 134279492) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol.

Molecular Properties

Compound Name(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol
PubChem CID134279492
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol
SMILESCC1NCCN2C=CC(CO)C3=C2C1=CCC3
InChIInChI=1S/C14H20N2O/c1-10-12-3-2-4-13-11(9-17)5-7-16(14(12)13)8-6-15-10/h3,5,7,10-11,15,17H,2,4,6,8-9H2,1H3
InChIKeyISIFKAPAEMZZCV-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol
CID 176569271
1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
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1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
CID 91609628
1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone
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3-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586453
N-ethyl-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-oxazol-5-amine
CID 54351514
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
CID 115102147
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
1-(3-methylpiperazin-1-yl)-2-(3-nitrophenyl)ethanone
CID 115737304
2-(hydroxymethyl)-3-methylpiperidin-4-ol
CID 77387082
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956

Frequently Asked Questions

What is the IUPAC name of (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol?
The IUPAC name of (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol (CID 134279492) is (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol.
What is the SMILES notation for (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol?
The canonical SMILES for (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol is CC1NCCN2C=CC(CO)C3=C2C1=CCC3.
What is the InChIKey of (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol?
The InChIKey is ISIFKAPAEMZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-12-3-2-4-13-11(9-17)5-7-16(14(12)13)8-6-15-10/h3,5,7,10-11,15,17H,2,4,6,8-9H2,1H3.
What are the key properties of (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol?
(10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol has a molecular weight of 232.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-4-yl)methanol is sourced from PubChem (CID 134279492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).