2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate

C14H22NO3- — CID 74603693

IUPAC2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCC1CCCCN1C(=O)C1CCCCC1C(=O)[O-]
InChIInChI=1S/C14H23NO3/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1
InChIKeyDNPCQPRWUACXEW-UHFFFAOYSA-M
MW252.33 g/mol
LogP0.94
Rot. Bonds2

About 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate

2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate (PubChem CID 74603693) has the molecular formula C14H22NO3- and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
PubChem CID74603693
Molecular FormulaC14H22NO3-
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCC1CCCCN1C(=O)C1CCCCC1C(=O)[O-]
InChIInChI=1S/C14H23NO3/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1
InChIKeyDNPCQPRWUACXEW-UHFFFAOYSA-M
XLogP0.94
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate (CID 74603693) is 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate is CC1CCCCN1C(=O)C1CCCCC1C(=O)[O-].
What is the InChIKey of 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is DNPCQPRWUACXEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO3/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 252.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 74603693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).