4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine

C14H24ClNO — CID 102900739

IUPAC4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
SMILESClC1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H24ClNO/c15-12-4-9-16(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyRYBWWCYPBCOPJR-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine

4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine (PubChem CID 102900739) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
PubChem CID102900739
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
SMILESClC1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H24ClNO/c15-12-4-9-16(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyRYBWWCYPBCOPJR-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.18
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)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
3-(2-Chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63388800
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[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900743
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
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
2-(Chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The IUPAC name of 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine (CID 102900739) is 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The canonical SMILES for 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine is ClC1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The InChIKey is RYBWWCYPBCOPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-12-4-9-16(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2.
What are the key properties of 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine has a molecular weight of 257.80 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).