(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol

C12H15N3O — CID 97056927

IUPAC(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol
SMILESO[C@]1(c2ccc3[nH]ccc3n2)CCCNC1
InChIInChI=1S/C12H15N3O/c16-12(5-1-6-13-8-12)11-3-2-9-10(15-11)4-7-14-9/h2-4,7,13-14,16H,1,5-6,8H2/t12-/m1/s1
InChIKeyRUHQBFAOBLGLGF-GFCCVEGCSA-N
MW217.27 g/mol
LogP1.13
Rot. Bonds1

About (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol

(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol (PubChem CID 97056927) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol
PubChem CID97056927
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol
SMILESO[C@]1(c2ccc3[nH]ccc3n2)CCCNC1
InChIInChI=1S/C12H15N3O/c16-12(5-1-6-13-8-12)11-3-2-9-10(15-11)4-7-14-9/h2-4,7,13-14,16H,1,5-6,8H2/t12-/m1/s1
InChIKeyRUHQBFAOBLGLGF-GFCCVEGCSA-N
XLogP1.13
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81444057
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CID 10198053
3-quinolin-7-ylpiperidin-3-ol
CID 81216263
3-quinolin-6-ylpiperidin-3-ol
CID 81216403
3-(1-ethylimidazol-4-yl)piperidin-3-ol
CID 130508658
3-thiophen-3-ylpiperidin-3-ol
CID 65099666
3-(3,4-difluorophenyl)piperidin-3-ol
CID 63588300
3-(2,3,4-trifluorophenyl)piperidin-3-ol
CID 63588689
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 117103815
1H-pyrrolo[3,2-b]pyridin-5-ylthiourea
CID 169004095

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol?
The IUPAC name of (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol (CID 97056927) is (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol?
The canonical SMILES for (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol is O[C@]1(c2ccc3[nH]ccc3n2)CCCNC1.
What is the InChIKey of (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol?
The InChIKey is RUHQBFAOBLGLGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(5-1-6-13-8-12)11-3-2-9-10(15-11)4-7-14-9/h2-4,7,13-14,16H,1,5-6,8H2/t12-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol?
(3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol has a molecular weight of 217.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)piperidin-3-ol is sourced from PubChem (CID 97056927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).