2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate

C17H32NO2+ — CID 167315003

IUPAC2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate
SMILESCC(C)(OC(=O)CCC1CCCCC1)C1CC[NH2+]CC1
InChIInChI=1S/C17H31NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h14-15,18H,3-13H2,1-2H3/p+1
InChIKeyHKMOHOCYDBSQFB-UHFFFAOYSA-O
MW282.45 g/mol
LogP2.64
Rot. Bonds5

About 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate

2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate (PubChem CID 167315003) has the molecular formula C17H32NO2+ and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate
PubChem CID167315003
Molecular FormulaC17H32NO2+
Molecular Weight282.45 g/mol
Exact Mass282.24
IUPAC Name2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate
SMILESCC(C)(OC(=O)CCC1CCCCC1)C1CC[NH2+]CC1
InChIInChI=1S/C17H31NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h14-15,18H,3-13H2,1-2H3/p+1
InChIKeyHKMOHOCYDBSQFB-UHFFFAOYSA-O
XLogP2.64
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-1-ium-4-ylpropan-2-yl butanoate
CID 167316100
2-piperidin-1-ium-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-1-ium-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 167315041
2-piperidin-1-ium-4-ylpropan-2-yl 2-iodoacetate
CID 162508102
2-piperidin-1-ium-4-ylpropan-2-yl 5-chloropentanoate
CID 167315279
2-piperidin-1-ium-4-ylpropan-2-yl 8-bromooctanoate
CID 167315242
2-piperidin-1-ium-4-ylpropan-2-yl 2-(carbamoylamino)acetate
CID 167314662
acetyl 3-cyclohexylpropanoate
CID 175292524
2-piperidin-1-ium-4-ylpropan-2-yl 3-methylpentanoate
CID 167315018
2-piperidin-1-ium-4-ylpropan-2-yl 4-(4-chlorophenyl)-4-oxobutanoate
CID 167315647
2-piperidin-1-ium-4-ylpropan-2-yl 2-[3-[2-oxo-2-(2-piperidin-1-ium-4-ylpropan-2-yloxy)ethyl]phenyl]acetate
CID 167314913
2-piperidin-1-ium-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate
CID 167314636
2-piperidin-1-ium-4-ylpropan-2-yl 2-chloropropanoate
CID 167316442

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate?
The IUPAC name of 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate (CID 167315003) is 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate.
What is the SMILES notation for 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate?
The canonical SMILES for 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate is CC(C)(OC(=O)CCC1CCCCC1)C1CC[NH2+]CC1.
What is the InChIKey of 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate?
The InChIKey is HKMOHOCYDBSQFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h14-15,18H,3-13H2,1-2H3/p+1.
What are the key properties of 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate?
2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate has a molecular weight of 282.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-4-ylpropan-2-yl 3-cyclohexylpropanoate is sourced from PubChem (CID 167315003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).