1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile

C11H18N2O — CID 130513199

IUPAC1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile
SMILESCC(O)(C1CCCNC1)C1(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-10(14,11(8-12)4-5-11)9-3-2-6-13-7-9/h9,13-14H,2-7H2,1H3
InChIKeyYDFOPJUZGDQIIB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds2

About 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile

1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile (PubChem CID 130513199) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile
PubChem CID130513199
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile
SMILESCC(O)(C1CCCNC1)C1(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-10(14,11(8-12)4-5-11)9-3-2-6-13-7-9/h9,13-14H,2-7H2,1H3
InChIKeyYDFOPJUZGDQIIB-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile (CID 130513199) is 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile is CC(O)(C1CCCNC1)C1(C#N)CC1.
What is the InChIKey of 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile?
The InChIKey is YDFOPJUZGDQIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(14,11(8-12)4-5-11)9-3-2-6-13-7-9/h9,13-14H,2-7H2,1H3.
What are the key properties of 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile?
1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 130513199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).