1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine

C15H21N — CID 20534407

IUPAC1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine
SMILESCC1NCCC2(c3ccccc3)CCCC12
InChIInChI=1S/C15H21N/c1-12-14-8-5-9-15(14,10-11-16-12)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3
InChIKeyPVXAHAMZLVAYOD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.11
Rot. Bonds1

About 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine

1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine (PubChem CID 20534407) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine
PubChem CID20534407
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine
SMILESCC1NCCC2(c3ccccc3)CCCC12
InChIInChI=1S/C15H21N/c1-12-14-8-5-9-15(14,10-11-16-12)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3
InChIKeyPVXAHAMZLVAYOD-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
CID 22015306
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
4-(1-phenylcyclopentyl)piperidine
CID 83911457
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
(4aR,9bS)-4a-phenyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
CID 129392517
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;pyridine
CID 174749562
(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 89494612
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
1-phenylbicyclo[4.1.0]heptane
CID 582374
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrate;hydrochloride
CID 141299651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine?
The IUPAC name of 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine (CID 20534407) is 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine.
What is the SMILES notation for 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine?
The canonical SMILES for 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine is CC1NCCC2(c3ccccc3)CCCC12.
What is the InChIKey of 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine?
The InChIKey is PVXAHAMZLVAYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12-14-8-5-9-15(14,10-11-16-12)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11H2,1H3.
What are the key properties of 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine?
1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine has a molecular weight of 215.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine is sourced from PubChem (CID 20534407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).