1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid

C14H25NO3 — CID 107072534

IUPAC1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC1CCCC(N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-10-5-4-8-15(13(10)14(16)17)11-6-3-7-12(9-11)18-2/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyKRBLIGAVEPACLM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid

1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072534) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107072534
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC1CCCC(N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-10-5-4-8-15(13(10)14(16)17)11-6-3-7-12(9-11)18-2/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyKRBLIGAVEPACLM-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
tert-butyl (2S)-1-(3-methoxycyclohexyl)pyrrolidine-2-carboxylate
CID 115537264
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
CID 113330914
1-(3-ethoxycyclobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 106824464
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
CID 107072062
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554
1-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid (CID 107072534) is 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid is COC1CCCC(N2CCCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is KRBLIGAVEPACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-5-4-8-15(13(10)14(16)17)11-6-3-7-12(9-11)18-2/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).