1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile

C11H18N2 — CID 117019338

IUPAC1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)C(C#N)CCCN1C1CC1
InChIInChI=1S/C11H18N2/c1-11(2)9(8-12)4-3-7-13(11)10-5-6-10/h9-10H,3-7H2,1-2H3
InChIKeyTXXVBROFMKKQPZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds1

About 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile

1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile (PubChem CID 117019338) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
PubChem CID117019338
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)C(C#N)CCCN1C1CC1
InChIInChI=1S/C11H18N2/c1-11(2)9(8-12)4-3-7-13(11)10-5-6-10/h9-10H,3-7H2,1-2H3
InChIKeyTXXVBROFMKKQPZ-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile
CID 117019343
1,2,2-trimethylpiperidine-3-carbonitrile
CID 117019334
2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
CID 117019367
1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
1-cyclopentyl-N,2,2-trimethylpiperidin-3-amine
CID 117019268
2-(1-cyclopropyl-2,2-dimethylpiperidin-3-yl)ethanamine
CID 117019627
2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
CID 116841940
1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
CID 117023149
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
CID 131115710
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017251
2-formyl-2-methylcyclohexane-1-carbonitrile
CID 134571116

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile (CID 117019338) is 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile is CC1(C)C(C#N)CCCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile?
The InChIKey is TXXVBROFMKKQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)9(8-12)4-3-7-13(11)10-5-6-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile?
1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).