(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone

C11H18ClNO2 — CID 114683166

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCOC2)CCC1Cl
InChIInChI=1S/C11H18ClNO2/c1-8-6-13(4-2-10(8)12)11(14)9-3-5-15-7-9/h8-10H,2-7H2,1H3
InChIKeyCQXWATRZZYETQW-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.50
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 114683166) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
PubChem CID114683166
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCOC2)CCC1Cl
InChIInChI=1S/C11H18ClNO2/c1-8-6-13(4-2-10(8)12)11(14)9-3-5-15-7-9/h8-10H,2-7H2,1H3
InChIKeyCQXWATRZZYETQW-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.50
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

(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[3-(2-chloroethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 114801260
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887
2-adamantyl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683132
[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80666825
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone (CID 114683166) is (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone is CC1CN(C(=O)C2CCOC2)CCC1Cl.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is CQXWATRZZYETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-8-6-13(4-2-10(8)12)11(14)9-3-5-15-7-9/h8-10H,2-7H2,1H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 231.72 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 114683166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).