molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]

C14H24N2 — CID 143497839

IUPACmolecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]
SMILESC1=CCC=C2C(=C1)NCCC21CCNCC1.[H][H].[H][H]
InChIInChI=1S/C14H20N2.2H2/c1-2-4-12-13(5-3-1)16-11-8-14(12)6-9-15-10-7-14;;/h1,3-5,15-16H,2,6-11H2;2*1H
InChIKeyCLZFFWZLWSTAMY-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.61
Rot. Bonds

About molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]

molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine] (PubChem CID 143497839) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine].

Molecular Properties

Compound Namemolecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]
PubChem CID143497839
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Namemolecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]
SMILESC1=CCC=C2C(=C1)NCCC21CCNCC1.[H][H].[H][H]
InChIInChI=1S/C14H20N2.2H2/c1-2-4-12-13(5-3-1)16-11-8-14(12)6-9-15-10-7-14;;/h1,3-5,15-16H,2,6-11H2;2*1H
InChIKeyCLZFFWZLWSTAMY-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
1-Methylenetetrahydroisoquinoline
CID 66925930
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
Spiro[1,2-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 69010944
spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]
CID 71070007
(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
CID 89034874
3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 89257142
(3E)-3-[(4Z)-hepta-4,6-dienylidene]-2-methylidenepiperidine
CID 89357910
4-(4-Methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine
CID 89473981
4-Methylidene-2-(piperidin-4-ylmethylidene)piperidine;hydrobromide
CID 118387178
6-Methyl-3-piperidin-4-yl-1,2-dihydropyridine
CID 118423115

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]?
The IUPAC name of molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine] (CID 143497839) is molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine].
What is the SMILES notation for molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]?
The canonical SMILES for molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine] is C1=CCC=C2C(=C1)NCCC21CCNCC1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]?
The InChIKey is CLZFFWZLWSTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2H2/c1-2-4-12-13(5-3-1)16-11-8-14(12)6-9-15-10-7-14;;/h1,3-5,15-16H,2,6-11H2;2*1H.
What are the key properties of molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine]?
molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine] has a molecular weight of 220.36 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;spiro[1,2,3,6-tetrahydrocyclohepta[b]pyridine-4,4'-piperidine] is sourced from PubChem (CID 143497839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).