2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid

C15H28N2O2 — CID 55146891

IUPAC2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
SMILESCN(C)C1CCN(C2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-16(2)12-8-10-17(11-9-12)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyXSQFUUWIDDNPNO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid

2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid (PubChem CID 55146891) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
PubChem CID55146891
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
SMILESCN(C)C1CCN(C2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-16(2)12-8-10-17(11-9-12)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyXSQFUUWIDDNPNO-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
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2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63066915
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343
2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
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2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
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1-azabicyclo[4.2.0]octane-7-carboxylic acid
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2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid (CID 55146891) is 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid is CN(C)C1CCN(C2CCCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid?
The InChIKey is XSQFUUWIDDNPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(2)12-8-10-17(11-9-12)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid?
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 55146891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).