2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate

C15H29NO2 — CID 71063287

IUPAC2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
SMILESCCC(OC(=O)CCC1CCNCC1)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-13(15(2,3)4)18-14(17)7-6-12-8-10-16-11-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyBWATYIJWEXTQFI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds5

About 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate

2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate (PubChem CID 71063287) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Name2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
PubChem CID71063287
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
SMILESCCC(OC(=O)CCC1CCNCC1)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-13(15(2,3)4)18-14(17)7-6-12-8-10-16-11-9-12/h12-13,16H,5-11H2,1-4H3
InChIKeyBWATYIJWEXTQFI-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326
ethynyl 3-piperidin-4-ylpropanoate
CID 174561652
2-piperidin-4-ylethyl butanoate
CID 174737441
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
2-piperidin-4-ylethyl propanoate
CID 53408774
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate?
The IUPAC name of 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate (CID 71063287) is 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate.
What is the SMILES notation for 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate?
The canonical SMILES for 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate is CCC(OC(=O)CCC1CCNCC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate?
The InChIKey is BWATYIJWEXTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-13(15(2,3)4)18-14(17)7-6-12-8-10-16-11-9-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate?
2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate is sourced from PubChem (CID 71063287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).