3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate

C15H29NO2 — CID 66225091

IUPAC3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCC(C)(C)C)CCCNC1
InChIInChI=1S/C15H29NO2/c1-5-7-15(8-6-10-16-12-15)13(17)18-11-9-14(2,3)4/h16H,5-12H2,1-4H3
InChIKeyZUKHSZCPPVJVFG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.14
Rot. Bonds5

About 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate

3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate (PubChem CID 66225091) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
PubChem CID66225091
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCC(C)(C)C)CCCNC1
InChIInChI=1S/C15H29NO2/c1-5-7-15(8-6-10-16-12-15)13(17)18-11-9-14(2,3)4/h16H,5-12H2,1-4H3
InChIKeyZUKHSZCPPVJVFG-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
2-ethylhexyl 3-propylpiperidine-3-carboxylate
CID 63540459
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
CID 63137943
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate (CID 66225091) is 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OCCC(C)(C)C)CCCNC1.
What is the InChIKey of 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate?
The InChIKey is ZUKHSZCPPVJVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-15(8-6-10-16-12-15)13(17)18-11-9-14(2,3)4/h16H,5-12H2,1-4H3.
What are the key properties of 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate?
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 66225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).