4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine

C14H26ClNO — CID 106838012

IUPAC4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
SMILESCC(Cl)C1CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H26ClNO/c1-11(15)12-5-8-16(9-6-12)10-13-4-7-14(2,3)17-13/h11-13H,4-10H2,1-3H3
InChIKeyYFLIEBLNUYNGGG-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.28
Rot. Bonds3

About 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine

4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine (PubChem CID 106838012) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
PubChem CID106838012
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
SMILESCC(Cl)C1CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H26ClNO/c1-11(15)12-5-8-16(9-6-12)10-13-4-7-14(2,3)17-13/h11-13H,4-10H2,1-3H3
InChIKeyYFLIEBLNUYNGGG-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.28
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

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 116522163
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine (CID 106838012) is 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine is CC(Cl)C1CCN(CC2CCC(C)(C)O2)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The InChIKey is YFLIEBLNUYNGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-11(15)12-5-8-16(9-6-12)10-13-4-7-14(2,3)17-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine has a molecular weight of 259.82 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine is sourced from PubChem (CID 106838012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).