3-morpholin-4-ylpiperidine-3-carbonitrile

C10H17N3O — CID 79308459

IUPAC3-morpholin-4-ylpiperidine-3-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCNC1
InChIInChI=1S/C10H17N3O/c11-8-10(2-1-3-12-9-10)13-4-6-14-7-5-13/h12H,1-7,9H2
InChIKeyLPMUFVPTLICFHH-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.04
Rot. Bonds1

About 3-morpholin-4-ylpiperidine-3-carbonitrile

3-morpholin-4-ylpiperidine-3-carbonitrile (PubChem CID 79308459) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-morpholin-4-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-morpholin-4-ylpiperidine-3-carbonitrile
PubChem CID79308459
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-morpholin-4-ylpiperidine-3-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCNC1
InChIInChI=1S/C10H17N3O/c11-8-10(2-1-3-12-9-10)13-4-6-14-7-5-13/h12H,1-7,9H2
InChIKeyLPMUFVPTLICFHH-UHFFFAOYSA-N
XLogP-0.04
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpiperidine-3-carbonitrile?
The IUPAC name of 3-morpholin-4-ylpiperidine-3-carbonitrile (CID 79308459) is 3-morpholin-4-ylpiperidine-3-carbonitrile.
What is the SMILES notation for 3-morpholin-4-ylpiperidine-3-carbonitrile?
The canonical SMILES for 3-morpholin-4-ylpiperidine-3-carbonitrile is N#CC1(N2CCOCC2)CCCNC1.
What is the InChIKey of 3-morpholin-4-ylpiperidine-3-carbonitrile?
The InChIKey is LPMUFVPTLICFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-8-10(2-1-3-12-9-10)13-4-6-14-7-5-13/h12H,1-7,9H2.
What are the key properties of 3-morpholin-4-ylpiperidine-3-carbonitrile?
3-morpholin-4-ylpiperidine-3-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 79308459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).