2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile

C14H26N2 — CID 103925448

IUPAC2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
SMILESCC(C)C1CCN(CCC(C)(C)C#N)CC1
InChIInChI=1S/C14H26N2/c1-12(2)13-5-8-16(9-6-13)10-7-14(3,4)11-15/h12-13H,5-10H2,1-4H3
InChIKeyBSXRKUYQJDLRJZ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.29
Rot. Bonds4

About 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile

2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile (PubChem CID 103925448) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
PubChem CID103925448
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
SMILESCC(C)C1CCN(CCC(C)(C)C#N)CC1
InChIInChI=1S/C14H26N2/c1-12(2)13-5-8-16(9-6-13)10-7-14(3,4)11-15/h12-13H,5-10H2,1-4H3
InChIKeyBSXRKUYQJDLRJZ-UHFFFAOYSA-N
XLogP3.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
2,2-dimethyl-4-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butanenitrile
CID 65251983
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
2,2-dimethyl-4-thiomorpholin-4-ylbutanenitrile
CID 65251203
(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129490237
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 176666593
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile (CID 103925448) is 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile is CC(C)C1CCN(CCC(C)(C)C#N)CC1.
What is the InChIKey of 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
The InChIKey is BSXRKUYQJDLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2)13-5-8-16(9-6-13)10-7-14(3,4)11-15/h12-13H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile?
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 103925448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).