2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile

C15H26N2O — CID 63973853

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESCOCC1CCN(C2CCCCCC2C#N)CC1
InChIInChI=1S/C15H26N2O/c1-18-12-13-7-9-17(10-8-13)15-6-4-2-3-5-14(15)11-16/h13-15H,2-10,12H2,1H3
InChIKeyQIQBJRTTZQUYHY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile

2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile (PubChem CID 63973853) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
PubChem CID63973853
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESCOCC1CCN(C2CCCCCC2C#N)CC1
InChIInChI=1S/C15H26N2O/c1-18-12-13-7-9-17(10-8-13)15-6-4-2-3-5-14(15)11-16/h13-15H,2-10,12H2,1H3
InChIKeyQIQBJRTTZQUYHY-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 61420857
2-[4-(methoxymethyl)piperidin-1-yl]cycloheptan-1-amine
CID 63973844
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291712
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 61441141
2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide
CID 54989367
2-(4,4-diethylpiperidin-1-yl)cycloheptane-1-carbonitrile
CID 55166035
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
1-cyclopentyl-4-(methoxymethyl)piperidine;ethane
CID 156885673
2-morpholin-4-ylcyclohexane-1-carbonitrile
CID 43291520
2-(1,1-dioxo-1,4-thiazinan-4-yl)cycloheptane-1-carbonitrile
CID 43581425
1-cyclobutyl-4-(methoxymethyl)piperidine
CID 131107152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile (CID 63973853) is 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile is COCC1CCN(C2CCCCCC2C#N)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The InChIKey is QIQBJRTTZQUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-18-12-13-7-9-17(10-8-13)15-6-4-2-3-5-14(15)11-16/h13-15H,2-10,12H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 63973853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).