2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine

C13H22ClNO2 — CID 24158

IUPAC2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
SMILESClC1CCCCC12OCC(C1CCCCN1)O2
InChIInChI=1S/C13H22ClNO2/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10/h10-12,15H,1-9H2
InChIKeyCMWQRKSPYCPCRR-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.42
Rot. Bonds1

About 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine

2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine (PubChem CID 24158) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine.

Molecular Properties

Compound Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
PubChem CID24158
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
SMILESClC1CCCCC12OCC(C1CCCCN1)O2
InChIInChI=1S/C13H22ClNO2/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10/h10-12,15H,1-9H2
InChIKeyCMWQRKSPYCPCRR-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxaspiro(4.5)decane, 8-chloro-2-(2-piperidyl)-, hydrochloride, beta-
CID 48105
1,4-Dioxaspiro(4.5)decane, 6-chloro-2-(2-piperidyl)-, hydrochloride, beta-
CID 24157
1,4-Dioxaspiro(4.5)decane, 2-(2-piperidyl)-, hydrochloride
CID 24195
1,4-Dioxaspiro(4.5)decane, 7-chloro-2-(2-piperidyl)-, hydrochloride, alpha-
CID 48103
2-(1,4-Dioxaspiro[4.5]decan-3-yl)piperidine
CID 24196
2-(7-Chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 48104
2-(8-Chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 48106
2-(8-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138401087
2-(7-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138401086
2-(6-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402067
2-(1,4-Dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402083

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine (CID 24158) is 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine.
What is the SMILES notation for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The canonical SMILES for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine is ClC1CCCCC12OCC(C1CCCCN1)O2.
What is the InChIKey of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The InChIKey is CMWQRKSPYCPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10/h10-12,15H,1-9H2.
What are the key properties of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine has a molecular weight of 259.78 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine is sourced from PubChem (CID 24158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).