4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile

C13H24N4O — CID 45113626

IUPAC4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O/c14-12-13(15)2-6-16(7-3-13)4-1-5-17-8-10-18-11-9-17/h1-11,15H2
InChIKeyASZHYGCDAHETIX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.03
Rot. Bonds4

About 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile

4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile (PubChem CID 45113626) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
PubChem CID45113626
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O/c14-12-13(15)2-6-16(7-3-13)4-1-5-17-8-10-18-11-9-17/h1-11,15H2
InChIKeyASZHYGCDAHETIX-UHFFFAOYSA-N
XLogP0.03
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile (CID 45113626) is 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile is N#CC1(N)CCN(CCCN2CCOCC2)CC1.
What is the InChIKey of 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The InChIKey is ASZHYGCDAHETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-12-13(15)2-6-16(7-3-13)4-1-5-17-8-10-18-11-9-17/h1-11,15H2.
What are the key properties of 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 45113626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).