tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate

C18H33NO3 — CID 135020749

IUPACtert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate
SMILESCCN1CCCC(OC2CCC(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H33NO3/c1-5-19-12-6-7-16(13-19)21-15-10-8-14(9-11-15)17(20)22-18(2,3)4/h14-16H,5-13H2,1-4H3
InChIKeyMLBSTUMSOUUFHI-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.39
Rot. Bonds4

About tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate

tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate (PubChem CID 135020749) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate
PubChem CID135020749
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate
SMILESCCN1CCCC(OC2CCC(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H33NO3/c1-5-19-12-6-7-16(13-19)21-15-10-8-14(9-11-15)17(20)22-18(2,3)4/h14-16H,5-13H2,1-4H3
InChIKeyMLBSTUMSOUUFHI-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146599400
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate (CID 135020749) is tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate is CCN1CCCC(OC2CCC(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate?
The InChIKey is MLBSTUMSOUUFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-5-19-12-6-7-16(13-19)21-15-10-8-14(9-11-15)17(20)22-18(2,3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate?
tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-ethylpiperidin-3-yl)oxycyclohexane-1-carboxylate is sourced from PubChem (CID 135020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).