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

C13H20ClNO — CID 63390766

IUPAC2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCC(Cl)CC1
InChIInChI=1S/C13H20ClNO/c14-11-3-5-15(6-4-11)13(16)12-8-9-1-2-10(12)7-9/h9-12H,1-8H2
InChIKeyQVFXVSJMVUVUCH-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.65
Rot. Bonds1

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

2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone (PubChem CID 63390766) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
PubChem CID63390766
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCC(Cl)CC1
InChIInChI=1S/C13H20ClNO/c14-11-3-5-15(6-4-11)13(16)12-8-9-1-2-10(12)7-9/h9-12H,1-8H2
InChIKeyQVFXVSJMVUVUCH-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[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
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
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
2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
CID 82701385
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 98726037

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone (CID 63390766) is 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone is O=C(C1CC2CCC1C2)N1CCC(Cl)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone?
The InChIKey is QVFXVSJMVUVUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c14-11-3-5-15(6-4-11)13(16)12-8-9-1-2-10(12)7-9/h9-12H,1-8H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone?
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone has a molecular weight of 241.76 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone is sourced from PubChem (CID 63390766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).