4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile

C17H32N4O — CID 22972950

IUPAC4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
SMILESCC(C)(C)NC1(C#N)CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O/c1-16(2,3)19-17(15-18)5-9-20(10-6-17)7-4-8-21-11-13-22-14-12-21/h19H,4-14H2,1-3H3
InChIKeyODIKIDSORGFUNP-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.45
Rot. Bonds5

About 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile

4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile (PubChem CID 22972950) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
PubChem CID22972950
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
SMILESCC(C)(C)NC1(C#N)CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O/c1-16(2,3)19-17(15-18)5-9-20(10-6-17)7-4-8-21-11-13-22-14-12-21/h19H,4-14H2,1-3H3
InChIKeyODIKIDSORGFUNP-UHFFFAOYSA-N
XLogP1.45
TPSA51.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile (CID 22972950) is 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile is CC(C)(C)NC1(C#N)CCN(CCCN2CCOCC2)CC1.
What is the InChIKey of 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
The InChIKey is ODIKIDSORGFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-16(2,3)19-17(15-18)5-9-20(10-6-17)7-4-8-21-11-13-22-14-12-21/h19H,4-14H2,1-3H3.
What are the key properties of 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile?
4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile has a molecular weight of 308.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 22972950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).