2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate

C18H27NO3 — CID 3518904

IUPAC2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-15(2)14-22-17-8-6-16(7-9-17)18(20)21-13-12-19-10-4-3-5-11-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyOHEUTBUXVKXVFO-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.36
Rot. Bonds7

About 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate

2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate (PubChem CID 3518904) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
PubChem CID3518904
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-15(2)14-22-17-8-6-16(7-9-17)18(20)21-13-12-19-10-4-3-5-11-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyOHEUTBUXVKXVFO-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
CID 644984
2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
CID 2294860
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
butyl 4-(2-methylpropoxy)benzoate
CID 82186422
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2-methylpropoxy)benzoate
CID 2680543
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-methylpropyl 4-(piperidin-1-ylmethyl)benzoate
CID 18710312
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate?
The IUPAC name of 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate (CID 3518904) is 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate is CC(C)COc1ccc(C(=O)OCCN2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate?
The InChIKey is OHEUTBUXVKXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-15(2)14-22-17-8-6-16(7-9-17)18(20)21-13-12-19-10-4-3-5-11-19/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate?
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate has a molecular weight of 305.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 3518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).