1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid

C11H19NO2 — CID 116928821

IUPAC1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H19NO2/c1-12-6-2-9(3-7-12)8-11(4-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyCEJDXCUSXRCYLP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

About 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid

1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116928821) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116928821
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H19NO2/c1-12-6-2-9(3-7-12)8-11(4-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyCEJDXCUSXRCYLP-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
CID 130596408
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243109
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
[1-(hydroxymethyl)cyclopropyl]-(1-methylpyrrolidin-3-yl)methanone
CID 116921208
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid (CID 116928821) is 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid is CN1CCC(CC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CEJDXCUSXRCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-6-2-9(3-7-12)8-11(4-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116928821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).