[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

C14H24ClNO2 — CID 65159239

IUPAC[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC(CCl)CC2)C1C
InChIInChI=1S/C14H24ClNO2/c1-9-10(2)18-11(3)13(9)14(17)16-6-4-12(8-15)5-7-16/h9-13H,4-8H2,1-3H3
InChIKeyFLDAJUBUHNUMHO-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.52
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone

[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65159239) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65159239
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC(CCl)CC2)C1C
InChIInChI=1S/C14H24ClNO2/c1-9-10(2)18-11(3)13(9)14(17)16-6-4-12(8-15)5-7-16/h9-13H,4-8H2,1-3H3
InChIKeyFLDAJUBUHNUMHO-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.52
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

2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615306
[3-(bromomethyl)pyrrolidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80666651
[4-(2-chloroethyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159539
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
CID 77057802
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
[2-(chloromethyl)morpholin-4-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 81210109
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 112747394
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 65157041
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
[3-(1-aminoethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65160690

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65159239) is [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)N2CCC(CCl)CC2)C1C.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is FLDAJUBUHNUMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-9-10(2)18-11(3)13(9)14(17)16-6-4-12(8-15)5-7-16/h9-13H,4-8H2,1-3H3.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 273.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65159239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).