1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile

C10H16N2 — CID 116836897

IUPAC1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
SMILESCN1CCC(C2(C#N)CC2)CC1
InChIInChI=1S/C10H16N2/c1-12-6-2-9(3-7-12)10(8-11)4-5-10/h9H,2-7H2,1H3
InChIKeySSSGQWYCMUTEKY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.63
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile

1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile (PubChem CID 116836897) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
PubChem CID116836897
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
SMILESCN1CCC(C2(C#N)CC2)CC1
InChIInChI=1S/C10H16N2/c1-12-6-2-9(3-7-12)10(8-11)4-5-10/h9H,2-7H2,1H3
InChIKeySSSGQWYCMUTEKY-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 126758785
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
1-methylpiperidine-4-carbonitrile
CID 11789206
4-(1-tert-butylcyclopropyl)-1-methylpiperidine
CID 118329233
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
CID 130513676
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
[1-(1-methylpiperidin-4-yl)cyclopropyl]methanol
CID 116963507
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
[1-(1-methylpiperidin-4-yl)cyclobutyl]methanol
CID 116963830
2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 65420090

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile (CID 116836897) is 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile is CN1CCC(C2(C#N)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile?
The InChIKey is SSSGQWYCMUTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-6-2-9(3-7-12)10(8-11)4-5-10/h9H,2-7H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile?
1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116836897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).