4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

C14H27N3 — CID 55144475

IUPAC4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCC1CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C14H27N3/c1-4-13-5-8-17(9-6-13)10-7-14(11-15)16-12(2)3/h12-14,16H,4-10H2,1-3H3
InChIKeyQFCMGGWSEIQKLQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds6

About 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 55144475) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID55144475
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCC1CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C14H27N3/c1-4-13-5-8-17(9-6-13)10-7-14(11-15)16-12(2)3/h12-14,16H,4-10H2,1-3H3
InChIKeyQFCMGGWSEIQKLQ-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104
4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029843
4-(azepan-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029454
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63159208
4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256
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-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62204880
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 55144475) is 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is CCC1CCN(CCC(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is QFCMGGWSEIQKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-13-5-8-17(9-6-13)10-7-14(11-15)16-12(2)3/h12-14,16H,4-10H2,1-3H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 55144475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).