2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile

C19H28N2 — CID 84751695

IUPAC2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
SMILESCC1CCCN(C(C)(C#N)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H28N2/c1-15(2)18-9-7-17(8-10-18)12-19(4,14-20)21-11-5-6-16(3)13-21/h7-10,15-16H,5-6,11-13H2,1-4H3
InChIKeyXWRYOUHEWOYRSV-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.37
Rot. Bonds4

About 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile

2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile (PubChem CID 84751695) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
PubChem CID84751695
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
SMILESCC1CCCN(C(C)(C#N)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H28N2/c1-15(2)18-9-7-17(8-10-18)12-19(4,14-20)21-11-5-6-16(3)13-21/h7-10,15-16H,5-6,11-13H2,1-4H3
InChIKeyXWRYOUHEWOYRSV-UHFFFAOYSA-N
XLogP4.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751985
3-(3-methoxyphenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanenitrile
CID 84751708
2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile
CID 84751702
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752060
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
(3R)-3-methyl-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide
CID 2545018
3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752076
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
CID 71733772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile?
The IUPAC name of 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile (CID 84751695) is 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile is CC1CCCN(C(C)(C#N)Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile?
The InChIKey is XWRYOUHEWOYRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15(2)18-9-7-17(8-10-18)12-19(4,14-20)21-11-5-6-16(3)13-21/h7-10,15-16H,5-6,11-13H2,1-4H3.
What are the key properties of 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile?
2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile has a molecular weight of 284.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 84751695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).