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

C11H20ClNO — CID 63386733

IUPAC3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-7-10-3-1-5-13(8-10)9-11-4-2-6-14-11/h10-11H,1-9H2
InChIKeyAEKDAQIADSLFPN-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.12
Rot. Bonds3

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

3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 63386733) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
PubChem CID63386733
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESClCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-7-10-3-1-5-13(8-10)9-11-4-2-6-14-11/h10-11H,1-9H2
InChIKeyAEKDAQIADSLFPN-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.12
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

3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine (CID 63386733) is 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine is ClCC1CCCN(CC2CCCO2)C1.
What is the InChIKey of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is AEKDAQIADSLFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-7-10-3-1-5-13(8-10)9-11-4-2-6-14-11/h10-11H,1-9H2.
What are the key properties of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine?
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 217.74 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 63386733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).