1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H26N2 — CID 65320963

IUPAC1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1CNCCC1N1CCCC2CCCC21
InChIInChI=1S/C14H26N2/c1-11-10-15-8-7-13(11)16-9-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyHZKFRLFIJZYPAD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds1

About 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65320963) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65320963
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1CNCCC1N1CCCC2CCCC21
InChIInChI=1S/C14H26N2/c1-11-10-15-8-7-13(11)16-9-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyHZKFRLFIJZYPAD-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134324824
2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134339327
2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134341384
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
CID 134335422
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320
3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
CID 134339511
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
4-methyl-3-(2-methylpyrrolidin-1-yl)piperidine
CID 66271783
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65320963) is 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC1CNCCC1N1CCCC2CCCC21.
What is the InChIKey of 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is HZKFRLFIJZYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-10-15-8-7-13(11)16-9-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65320963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).