3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile

C14H27N3O — CID 106588528

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCOCC1CCCN(CC(C)(C#N)NC(C)C)C1
InChIInChI=1S/C14H27N3O/c1-12(2)16-14(3,10-15)11-17-7-5-6-13(8-17)9-18-4/h12-13,16H,5-9,11H2,1-4H3
InChIKeyPXJFOUMKRQQGIN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.63
Rot. Bonds6

About 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile

3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 106588528) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
PubChem CID106588528
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCOCC1CCCN(CC(C)(C#N)NC(C)C)C1
InChIInChI=1S/C14H27N3O/c1-12(2)16-14(3,10-15)11-17-7-5-6-13(8-17)9-18-4/h12-13,16H,5-9,11H2,1-4H3
InChIKeyPXJFOUMKRQQGIN-UHFFFAOYSA-N
XLogP1.63
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62206650
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propanenitrile
CID 81198661
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 102727949
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 63151177

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile (CID 106588528) is 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile is COCC1CCCN(CC(C)(C#N)NC(C)C)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is PXJFOUMKRQQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)16-14(3,10-15)11-17-7-5-6-13(8-17)9-18-4/h12-13,16H,5-9,11H2,1-4H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile?
3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 106588528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).