3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine

C15H26ClNO — CID 102900755

IUPAC3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESClC1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C15H26ClNO/c16-13-5-4-10-17(11-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyXHFXRETWHPLYER-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.57
Rot. Bonds2

About 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine

3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (PubChem CID 102900755) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
PubChem CID102900755
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESClC1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C15H26ClNO/c16-13-5-4-10-17(11-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyXHFXRETWHPLYER-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
3-(2-Chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63388800
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
4-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900740
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900742
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
CID 102900746
2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900747
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The IUPAC name of 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (CID 102900755) is 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The canonical SMILES for 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is ClC1CCCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The InChIKey is XHFXRETWHPLYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c16-13-5-4-10-17(11-13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2.
What are the key properties of 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine has a molecular weight of 271.83 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).