3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile

C13H17N3O — CID 103888677

IUPAC3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCC(O)C1CCN(c2cnccc2C#N)CC1
InChIInChI=1S/C13H17N3O/c1-10(17)11-3-6-16(7-4-11)13-9-15-5-2-12(13)8-14/h2,5,9-11,17H,3-4,6-7H2,1H3
InChIKeyBEDAIOMTTZODDQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds2

About 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile

3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 103888677) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID103888677
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCC(O)C1CCN(c2cnccc2C#N)CC1
InChIInChI=1S/C13H17N3O/c1-10(17)11-3-6-16(7-4-11)13-9-15-5-2-12(13)8-14/h2,5,9-11,17H,3-4,6-7H2,1H3
InChIKeyBEDAIOMTTZODDQ-UHFFFAOYSA-N
XLogP1.55
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 103888677) is 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile is CC(O)C1CCN(c2cnccc2C#N)CC1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is BEDAIOMTTZODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)11-3-6-16(7-4-11)13-9-15-5-2-12(13)8-14/h2,5,9-11,17H,3-4,6-7H2,1H3.
What are the key properties of 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile?
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 103888677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).