(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol

C12H24N4O — CID 176569399

IUPAC(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol
SMILESOCC1CCC2C(NCN2C2CCCNC2)N1
InChIInChI=1S/C12H24N4O/c17-7-9-3-4-11-12(15-9)14-8-16(11)10-2-1-5-13-6-10/h9-15,17H,1-8H2
InChIKeyQUKGYJSYLARNQI-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.96
Rot. Bonds2

About (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol

(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol (PubChem CID 176569399) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol
PubChem CID176569399
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol
SMILESOCC1CCC2C(NCN2C2CCCNC2)N1
InChIInChI=1S/C12H24N4O/c17-7-9-3-4-11-12(15-9)14-8-16(11)10-2-1-5-13-6-10/h9-15,17H,1-8H2
InChIKeyQUKGYJSYLARNQI-UHFFFAOYSA-N
XLogP-0.96
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
CID 176569123
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
CID 130647241
piperidin-3-ylmethanol
CID 161361606
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
CID 130915029
1,4,8,11-tetrazacyclotetradec-2-ylmethanol;tetrahydrobromide
CID 19755995
(3S)-3-pyrrol-1-ylpiperidine
CID 95378995
(3R)-3-pyrrol-1-ylpiperidine
CID 95378994
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
CID 59215878
[(6S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 131114768
[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
CID 59215758
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol?
The IUPAC name of (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol (CID 176569399) is (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol.
What is the SMILES notation for (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol?
The canonical SMILES for (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol is OCC1CCC2C(NCN2C2CCCNC2)N1.
What is the InChIKey of (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol?
The InChIKey is QUKGYJSYLARNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c17-7-9-3-4-11-12(15-9)14-8-16(11)10-2-1-5-13-6-10/h9-15,17H,1-8H2.
What are the key properties of (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol?
(1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol has a molecular weight of 240.35 g/mol, XLogP of -0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-5-yl)methanol is sourced from PubChem (CID 176569399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).