9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one

C16H22N2O2 — CID 57135488

IUPAC9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one
SMILESCN1CCC(C2(O)C(=O)CCCc3cccnc32)CC1
InChIInChI=1S/C16H22N2O2/c1-18-10-7-13(8-11-18)16(20)14(19)6-2-4-12-5-3-9-17-15(12)16/h3,5,9,13,20H,2,4,6-8,10-11H2,1H3
InChIKeyLKEVLISQMQIXJE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds1

About 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one

9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one (PubChem CID 57135488) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one.

Molecular Properties

Compound Name9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one
PubChem CID57135488
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one
SMILESCN1CCC(C2(O)C(=O)CCCc3cccnc32)CC1
InChIInChI=1S/C16H22N2O2/c1-18-10-7-13(8-11-18)16(20)14(19)6-2-4-12-5-3-9-17-15(12)16/h3,5,9,13,20H,2,4,6-8,10-11H2,1H3
InChIKeyLKEVLISQMQIXJE-UHFFFAOYSA-N
XLogP1.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pirmenol
CID 65502
Pirmenol Hydrochloride
CID 65501
(7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11152739
trans-(+)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11187225
(-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11256620
(7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11462727
Benzilamide, N-allyl-N-(4-pyridylmethyl)-
CID 380040
2-Pyridineglycolic acid, alpha-(1-propynyl)-, 1-methyl-4-piperidyl ester
CID 380377
(+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride
CID 76962233
2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 11794901
(7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894425
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one?
The IUPAC name of 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one (CID 57135488) is 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one.
What is the SMILES notation for 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one?
The canonical SMILES for 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one is CN1CCC(C2(O)C(=O)CCCc3cccnc32)CC1.
What is the InChIKey of 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one?
The InChIKey is LKEVLISQMQIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-10-7-13(8-11-18)16(20)14(19)6-2-4-12-5-3-9-17-15(12)16/h3,5,9,13,20H,2,4,6-8,10-11H2,1H3.
What are the key properties of 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one?
9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one has a molecular weight of 274.36 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-8-one is sourced from PubChem (CID 57135488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).