2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

C17H32ClNO2 — CID 138402068

IUPAC2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyNVEPDRUJHSRYTB-UHFFFAOYSA-N
MW317.90 g/mol
LogP3.90
Rot. Bonds1

About 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (PubChem CID 138402068) has the molecular formula C17H32ClNO2 and a molecular weight of 317.90 g/mol. Its IUPAC name is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
PubChem CID138402068
Molecular FormulaC17H32ClNO2
Molecular Weight317.90 g/mol
Exact Mass317.21
IUPAC Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C17H31NO2.ClH/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyNVEPDRUJHSRYTB-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (CID 138402068) is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is CC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2.Cl.
What is the InChIKey of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The InChIKey is NVEPDRUJHSRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.ClH/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14;/h13-15,18H,4-12H2,1-3H3;1H.
What are the key properties of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138402068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).