2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile

C12H22N2O — CID 65253359

IUPAC2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
SMILESCC(C)(C#N)CCOCC1CCCNC1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-7-15-9-11-4-3-6-14-8-11/h11,14H,3-9H2,1-2H3
InChIKeyMFDPGJBNMXOEJW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds5

About 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile

2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile (PubChem CID 65253359) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
PubChem CID65253359
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
SMILESCC(C)(C#N)CCOCC1CCCNC1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-7-15-9-11-4-3-6-14-8-11/h11,14H,3-9H2,1-2H3
InChIKeyMFDPGJBNMXOEJW-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106636578
3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
CID 116616556
2-methyl-1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939384
tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
CID 174520004
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile (CID 65253359) is 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile is CC(C)(C#N)CCOCC1CCCNC1.
What is the InChIKey of 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile?
The InChIKey is MFDPGJBNMXOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,10-13)5-7-15-9-11-4-3-6-14-8-11/h11,14H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile?
2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile is sourced from PubChem (CID 65253359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).