4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

C17H32N4 — CID 63027929

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H32N4/c1-15(2)19-16(14-18)6-11-20-12-7-17(8-13-20)21-9-4-3-5-10-21/h15-17,19H,3-13H2,1-2H3
InChIKeyRSUOFLPWSVFYMH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds6

About 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63027929) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63027929
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H32N4/c1-15(2)19-16(14-18)6-11-20-12-7-17(8-13-20)21-9-4-3-5-10-21/h15-17,19H,3-13H2,1-2H3
InChIKeyRSUOFLPWSVFYMH-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029454
2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
CID 63028108
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009
4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 55144475
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64826874
4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029843
4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(propan-2-ylamino)propanenitrile
CID 63150560
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63027929) is 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is CC(C)NC(C#N)CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is RSUOFLPWSVFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-15(2)19-16(14-18)6-11-20-12-7-17(8-13-20)21-9-4-3-5-10-21/h15-17,19H,3-13H2,1-2H3.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63027929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).