(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone

C15H26ClNO — CID 114683217

IUPAC(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
SMILESCC1CN(C(=O)C2CCCCCCC2)CCC1Cl
InChIInChI=1S/C15H26ClNO/c1-12-11-17(10-9-14(12)16)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11H2,1H3
InChIKeyKPEURCCQPYZUJF-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.82
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone

(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone (PubChem CID 114683217) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
PubChem CID114683217
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
SMILESCC1CN(C(=O)C2CCCCCCC2)CCC1Cl
InChIInChI=1S/C15H26ClNO/c1-12-11-17(10-9-14(12)16)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11H2,1H3
InChIKeyKPEURCCQPYZUJF-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498190
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
2-adamantyl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683132
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone (CID 114683217) is (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone is CC1CN(C(=O)C2CCCCCCC2)CCC1Cl.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone?
The InChIKey is KPEURCCQPYZUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-12-11-17(10-9-14(12)16)15(18)13-7-5-3-2-4-6-8-13/h12-14H,2-11H2,1H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone?
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone has a molecular weight of 271.83 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone is sourced from PubChem (CID 114683217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).