1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile

C12H22N2O — CID 102977110

IUPAC1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
SMILESCOC(C)(C)CCN1CCC(C#N)CC1
InChIInChI=1S/C12H22N2O/c1-12(2,15-3)6-9-14-7-4-11(10-13)5-8-14/h11H,4-9H2,1-3H3
InChIKeyRZKQSXALKRYZBX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile

1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile (PubChem CID 102977110) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
PubChem CID102977110
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
SMILESCOC(C)(C)CCN1CCC(C#N)CC1
InChIInChI=1S/C12H22N2O/c1-12(2,15-3)6-9-14-7-4-11(10-13)5-8-14/h11H,4-9H2,1-3H3
InChIKeyRZKQSXALKRYZBX-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine
CID 103032460
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-pent-3-ynylpiperidine-4-carbonitrile
CID 104746282
3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 103032483
3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine
CID 166218650
1-methylpiperidine-4-carbonitrile
CID 11789206
1-(3,3-difluorobutyl)piperidine-3-carbonitrile
CID 84670667
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile (CID 102977110) is 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile is COC(C)(C)CCN1CCC(C#N)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile?
The InChIKey is RZKQSXALKRYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,15-3)6-9-14-7-4-11(10-13)5-8-14/h11H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile?
1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile is sourced from PubChem (CID 102977110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).