piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol

C13H17N3O — CID 102626838

IUPACpiperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
SMILESOC(c1c[nH]c2ccncc12)C1CCCNC1
InChIInChI=1S/C13H17N3O/c17-13(9-2-1-4-14-6-9)11-8-16-12-3-5-15-7-10(11)12/h3,5,7-9,13-14,16-17H,1-2,4,6H2
InChIKeyIJZOWINWPMKDIA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds2

About piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol

piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol (PubChem CID 102626838) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol.

Molecular Properties

Compound Namepiperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
PubChem CID102626838
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namepiperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
SMILESOC(c1c[nH]c2ccncc12)C1CCCNC1
InChIInChI=1S/C13H17N3O/c17-13(9-2-1-4-14-6-9)11-8-16-12-3-5-15-7-10(11)12/h3,5,7-9,13-14,16-17H,1-2,4,6H2
InChIKeyIJZOWINWPMKDIA-UHFFFAOYSA-N
XLogP1.60
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The IUPAC name of piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol (CID 102626838) is piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol.
What is the SMILES notation for piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The canonical SMILES for piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol is OC(c1c[nH]c2ccncc12)C1CCCNC1.
What is the InChIKey of piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The InChIKey is IJZOWINWPMKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(9-2-1-4-14-6-9)11-8-16-12-3-5-15-7-10(11)12/h3,5,7-9,13-14,16-17H,1-2,4,6H2.
What are the key properties of piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol has a molecular weight of 231.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol is sourced from PubChem (CID 102626838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).