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

C14H26N2 — CID 65320906

IUPAC1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC1CCC(CN2CCCC3CCCC32)NC1
InChIInChI=1S/C14H26N2/c1-2-9-15-13(7-1)11-16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2
InChIKeyCYKPDYNGQBVWRG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds2

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

1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65320906) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65320906
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC1CCC(CN2CCCC3CCCC32)NC1
InChIInChI=1S/C14H26N2/c1-2-9-15-13(7-1)11-16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2
InChIKeyCYKPDYNGQBVWRG-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114430782
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol
CID 102726846
[(2S)-1-[[(2S)-piperidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 130765394
(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102729049
(4aR,8aR)-1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726885
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
4-cyclopentyl-3-methyl-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116981839
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65320906) is 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is C1CCC(CN2CCCC3CCCC32)NC1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is CYKPDYNGQBVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-9-15-13(7-1)11-16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2.
What are the key properties of 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65320906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).