2-(2-hydroxyethyl)piperidine-2-carbonitrile

C8H14N2O — CID 130542465

IUPAC2-(2-hydroxyethyl)piperidine-2-carbonitrile
SMILESN#CC1(CCO)CCCCN1
InChIInChI=1S/C8H14N2O/c9-7-8(4-6-11)3-1-2-5-10-8/h10-11H,1-6H2
InChIKeyPHUSHIDDUBOTPJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.40
Rot. Bonds2

About 2-(2-hydroxyethyl)piperidine-2-carbonitrile

2-(2-hydroxyethyl)piperidine-2-carbonitrile (PubChem CID 130542465) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethyl)piperidine-2-carbonitrile
PubChem CID130542465
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(2-hydroxyethyl)piperidine-2-carbonitrile
SMILESN#CC1(CCO)CCCCN1
InChIInChI=1S/C8H14N2O/c9-7-8(4-6-11)3-1-2-5-10-8/h10-11H,1-6H2
InChIKeyPHUSHIDDUBOTPJ-UHFFFAOYSA-N
XLogP0.40
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)piperidine-2-carbonitrile?
The IUPAC name of 2-(2-hydroxyethyl)piperidine-2-carbonitrile (CID 130542465) is 2-(2-hydroxyethyl)piperidine-2-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethyl)piperidine-2-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethyl)piperidine-2-carbonitrile is N#CC1(CCO)CCCCN1.
What is the InChIKey of 2-(2-hydroxyethyl)piperidine-2-carbonitrile?
The InChIKey is PHUSHIDDUBOTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-8(4-6-11)3-1-2-5-10-8/h10-11H,1-6H2.
What are the key properties of 2-(2-hydroxyethyl)piperidine-2-carbonitrile?
2-(2-hydroxyethyl)piperidine-2-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)piperidine-2-carbonitrile is sourced from PubChem (CID 130542465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).