1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid

C15H25NO2 — CID 122121229

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC2CC3CCC2C3)C1
InChIInChI=1S/C15H25NO2/c1-10-4-14(15(17)18)9-16(7-10)8-13-6-11-2-3-12(13)5-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyWXZTZMXMQUTSEV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121229) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122121229
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC2CC3CCC2C3)C1
InChIInChI=1S/C15H25NO2/c1-10-4-14(15(17)18)9-16(7-10)8-13-6-11-2-3-12(13)5-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyWXZTZMXMQUTSEV-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125261
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
ethyl (3S)-1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-3-carboxylate
CID 81338593
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
1-but-3-ynyl-5-methylpiperidine-3-carboxylic acid
CID 130804536
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxylic acid
CID 79558379
(3aR,6aS)-5-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660823
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid (CID 122121229) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(CC2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WXZTZMXMQUTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-4-14(15(17)18)9-16(7-10)8-13-6-11-2-3-12(13)5-11/h10-14H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).