3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate

C22H33NO3 — CID 10839

💊View drug profile → cyclomethycaine
IUPAC3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
SMILESCC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3
InChIKeyYLRNESBGEGGQBK-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.82
Rot. Bonds7

About 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate

3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate (PubChem CID 10839) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
PubChem CID10839
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
SMILESCC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3
InChIKeyYLRNESBGEGGQBK-UHFFFAOYSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dyclonine
CID 3180
Dyclonine Hydrochloride
CID 68304
Parethoxycaine
CID 7183
Propipocaine
CID 70864
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
Emiglitate
CID 72004
Pitofenone
CID 121098
Propiophenone, 4'-isobutoxy-3-piperidino-, hydrochloride
CID 115931
Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
CID 199911
Propipocaine hydrochloride
CID 70863
Convolamine
CID 420422

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate (CID 10839) is 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate is CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate?
The InChIKey is YLRNESBGEGGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate?
3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate has a molecular weight of 359.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate is sourced from PubChem (CID 10839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).