3-chloro-1-(oxolan-2-ylmethyl)piperidine

C10H18ClNO — CID 63386889

IUPAC3-chloro-1-(oxolan-2-ylmethyl)piperidine
SMILESClC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-9-3-1-5-12(7-9)8-10-4-2-6-13-10/h9-10H,1-8H2
InChIKeyFSEGFQCMHALMLC-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.87
Rot. Bonds2

About 3-chloro-1-(oxolan-2-ylmethyl)piperidine

3-chloro-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 63386889) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(oxolan-2-ylmethyl)piperidine
PubChem CID63386889
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-1-(oxolan-2-ylmethyl)piperidine
SMILESClC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-9-3-1-5-12(7-9)8-10-4-2-6-13-10/h9-10H,1-8H2
InChIKeyFSEGFQCMHALMLC-UHFFFAOYSA-N
XLogP1.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 3-chloro-1-(oxolan-2-ylmethyl)piperidine (CID 63386889) is 3-chloro-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-chloro-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 3-chloro-1-(oxolan-2-ylmethyl)piperidine is ClC1CCCN(CC2CCCO2)C1.
What is the InChIKey of 3-chloro-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is FSEGFQCMHALMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-9-3-1-5-12(7-9)8-10-4-2-6-13-10/h9-10H,1-8H2.
What are the key properties of 3-chloro-1-(oxolan-2-ylmethyl)piperidine?
3-chloro-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 203.71 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 63386889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).