[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol

C14H14N2O — CID 129412804

IUPAC[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol
SMILESOCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1
InChIInChI=1S/C14H14N2O/c17-7-8-1-4-11-12(5-8)16-14-10-3-2-9(6-10)13(14)15-11/h1,4-5,9-10,17H,2-3,6-7H2/t9-,10-/m1/s1
InChIKeyOVVBWEHDEHIPHK-NXEZZACHSA-N
MW226.28 g/mol
LogP2.49
Rot. Bonds1

About [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol

[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol (PubChem CID 129412804) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol.

Molecular Properties

Compound Name[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol
PubChem CID129412804
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol
SMILESOCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1
InChIInChI=1S/C14H14N2O/c17-7-8-1-4-11-12(5-8)16-14-10-3-2-9(6-10)13(14)15-11/h1,4-5,9-10,17H,2-3,6-7H2/t9-,10-/m1/s1
InChIKeyOVVBWEHDEHIPHK-NXEZZACHSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol?
The IUPAC name of [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol (CID 129412804) is [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol.
What is the SMILES notation for [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol?
The canonical SMILES for [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol is OCc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1.
What is the InChIKey of [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol?
The InChIKey is OVVBWEHDEHIPHK-NXEZZACHSA-N. The full InChI is InChI=1S/C14H14N2O/c17-7-8-1-4-11-12(5-8)16-14-10-3-2-9(6-10)13(14)15-11/h1,4-5,9-10,17H,2-3,6-7H2/t9-,10-/m1/s1.
What are the key properties of [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol?
[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol is sourced from PubChem (CID 129412804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).