1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol

C17H21N5O — CID 16667902

IUPAC1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol
SMILESCc1cc(C)c2c(n1)nn1c(N3CCCC(O)C3)cc(C)nc21
InChIInChI=1S/C17H21N5O/c1-10-7-11(2)18-16-15(10)17-19-12(3)8-14(22(17)20-16)21-6-4-5-13(23)9-21/h7-8,13,23H,4-6,9H2,1-3H3
InChIKeyNOXKQRCSJNUDGB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.16
Rot. Bonds1

About 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol

1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol (PubChem CID 16667902) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol
PubChem CID16667902
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol
SMILESCc1cc(C)c2c(n1)nn1c(N3CCCC(O)C3)cc(C)nc21
InChIInChI=1S/C17H21N5O/c1-10-7-11(2)18-16-15(10)17-19-12(3)8-14(22(17)20-16)21-6-4-5-13(23)9-21/h7-8,13,23H,4-6,9H2,1-3H3
InChIKeyNOXKQRCSJNUDGB-UHFFFAOYSA-N
XLogP2.16
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol with MolForge

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 3229908
(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine
CID 95808188
(9aS)-2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56893403
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol
CID 130486903
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
CID 70753874

Frequently Asked Questions

What is the IUPAC name of 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol?
The IUPAC name of 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol (CID 16667902) is 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol.
What is the SMILES notation for 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol?
The canonical SMILES for 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol is Cc1cc(C)c2c(n1)nn1c(N3CCCC(O)C3)cc(C)nc21.
What is the InChIKey of 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol?
The InChIKey is NOXKQRCSJNUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-7-11(2)18-16-15(10)17-19-12(3)8-14(22(17)20-16)21-6-4-5-13(23)9-21/h7-8,13,23H,4-6,9H2,1-3H3.
What are the key properties of 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol?
1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol has a molecular weight of 311.39 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol is sourced from PubChem (CID 16667902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).