2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid

C16H30N2O2 — CID 63234790

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-17-10-8-13(9-11-17)12-18(2)15-7-5-3-4-6-14(15)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyQOEWYXHJOJUBRN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.29
Rot. Bonds4

About 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 63234790) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
PubChem CID63234790
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-17-10-8-13(9-11-17)12-18(2)15-7-5-3-4-6-14(15)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyQOEWYXHJOJUBRN-UHFFFAOYSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63275379
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 55175969
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid (CID 63234790) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid is CN1CCC(CN(C)C2CCCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is QOEWYXHJOJUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17-10-8-13(9-11-17)12-18(2)15-7-5-3-4-6-14(15)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63234790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).