ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate

C15H29NO2 — CID 71096303

IUPACethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(C)(C)CC)C1
InChIInChI=1S/C15H29NO2/c1-5-15(3,4)9-11-16-10-7-8-13(12-16)14(17)18-6-2/h13H,5-12H2,1-4H3
InChIKeyCNDXMMJMZHURQU-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.09
Rot. Bonds6

About ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate

ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate (PubChem CID 71096303) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
PubChem CID71096303
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(C)(C)CC)C1
InChIInChI=1S/C15H29NO2/c1-5-15(3,4)9-11-16-10-7-8-13(12-16)14(17)18-6-2/h13H,5-12H2,1-4H3
InChIKeyCNDXMMJMZHURQU-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
CID 142693827
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
CID 60750746

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate (CID 71096303) is ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(C)(C)CC)C1.
What is the InChIKey of ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate?
The InChIKey is CNDXMMJMZHURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-15(3,4)9-11-16-10-7-8-13(12-16)14(17)18-6-2/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate?
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate is sourced from PubChem (CID 71096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).