(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate

C15H27NO2 — CID 15223

IUPAC(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12(2)15(17)18-14-8-6-13(7-9-14)16-10-4-3-5-11-16/h12-14H,3-11H2,1-2H3
InChIKeyHMSUAYWYBNPMCX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds3

About (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate

(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate (PubChem CID 15223) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
PubChem CID15223
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12(2)15(17)18-14-8-6-13(7-9-14)16-10-4-3-5-11-16/h12-14H,3-11H2,1-2H3
InChIKeyHMSUAYWYBNPMCX-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2-methylpropanoate
CID 54511576
1-cyclopropylpiperidine
CID 10909573
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
[2-(2-methylpropanoyloxy)-5-(methylsulfanylmethyl)oxolan-3-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
CID 142801914
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid
CID 90470018
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate?
The IUPAC name of (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate (CID 15223) is (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate.
What is the SMILES notation for (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate?
The canonical SMILES for (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate is CC(C)C(=O)OC1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate?
The InChIKey is HMSUAYWYBNPMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)15(17)18-14-8-6-13(7-9-14)16-10-4-3-5-11-16/h12-14H,3-11H2,1-2H3.
What are the key properties of (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate?
(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylcyclohexyl) 2-methylpropanoate is sourced from PubChem (CID 15223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).