1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one

C16H30ClNO — CID 102961471

IUPAC1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C16H30ClNO/c1-3-4-5-6-7-8-9-10-16(19)18-12-11-14(2)15(17)13-18/h14-15H,3-13H2,1-2H3
InChIKeyZWFMDQAVKWUIHR-UHFFFAOYSA-N
MW287.88 g/mol
LogP4.60
Rot. Bonds8

About 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one

1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one (PubChem CID 102961471) has the molecular formula C16H30ClNO and a molecular weight of 287.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
PubChem CID102961471
Molecular FormulaC16H30ClNO
Molecular Weight287.88 g/mol
Exact Mass287.20
IUPAC Name1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C16H30ClNO/c1-3-4-5-6-7-8-9-10-16(19)18-12-11-14(2)15(17)13-18/h14-15H,3-13H2,1-2H3
InChIKeyZWFMDQAVKWUIHR-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one
CID 167263196
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[3-(2-chloroethyl)pyrrolidin-1-yl]dodecan-1-one
CID 114801182

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one?
The IUPAC name of 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one (CID 102961471) is 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one.
What is the SMILES notation for 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one?
The canonical SMILES for 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCC(C)C(Cl)C1.
What is the InChIKey of 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one?
The InChIKey is ZWFMDQAVKWUIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-3-4-5-6-7-8-9-10-16(19)18-12-11-14(2)15(17)13-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one?
1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one has a molecular weight of 287.88 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one is sourced from PubChem (CID 102961471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).