1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid

C10H17NO2 — CID 82407097

IUPAC1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
SMILESCN1CCCC(C2(C(=O)O)CC2)C1
InChIInChI=1S/C10H17NO2/c1-11-6-2-3-8(7-11)10(4-5-10)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyFOABSGHIFWQBIC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid

1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82407097) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82407097
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
SMILESCN1CCCC(C2(C(=O)O)CC2)C1
InChIInChI=1S/C10H17NO2/c1-11-6-2-3-8(7-11)10(4-5-10)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyFOABSGHIFWQBIC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
1-(1-methylpiperidin-3-yl)cyclobutan-1-ol
CID 115073858
4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
CID 116844613
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid (CID 82407097) is 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid is CN1CCCC(C2(C(=O)O)CC2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FOABSGHIFWQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-6-2-3-8(7-11)10(4-5-10)9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid?
1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82407097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).