2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone

C15H24ClNO2 — CID 82701385

IUPAC2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCC(OCCCl)CC1
InChIInChI=1S/C15H24ClNO2/c16-5-8-19-13-3-6-17(7-4-13)15(18)14-10-11-1-2-12(14)9-11/h11-14H,1-10H2
InChIKeyRFTPRWQLSLIFBM-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.67
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone (PubChem CID 82701385) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
PubChem CID82701385
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCC(OCCCl)CC1
InChIInChI=1S/C15H24ClNO2/c16-5-8-19-13-3-6-17(7-4-13)15(18)14-10-11-1-2-12(14)9-11/h11-14H,1-10H2
InChIKeyRFTPRWQLSLIFBM-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone 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

2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
1-[4-(2-chloroethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 82701908
[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
CID 124596715
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
CID 98763074
[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 82701794
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone (CID 82701385) is 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone is O=C(C1CC2CCC1C2)N1CCC(OCCCl)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone?
The InChIKey is RFTPRWQLSLIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c16-5-8-19-13-3-6-17(7-4-13)15(18)14-10-11-1-2-12(14)9-11/h11-14H,1-10H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone has a molecular weight of 285.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82701385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).