(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone

C10H16BrNO — CID 80661058

IUPAC(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C10H16BrNO/c1-7-5-9(7)10(13)12-4-2-3-8(11)6-12/h7-9H,2-6H2,1H3
InChIKeySVRXEQQQBXBOKH-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.03
Rot. Bonds1

About (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone

(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone (PubChem CID 80661058) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
PubChem CID80661058
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C10H16BrNO/c1-7-5-9(7)10(13)12-4-2-3-8(11)6-12/h7-9H,2-6H2,1H3
InChIKeySVRXEQQQBXBOKH-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.03
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

(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
(3-bromopiperidin-1-yl)-(thiolan-2-yl)methanone
CID 80661060
1-(3-bromopiperidin-1-yl)-2-methylsulfanylethanone
CID 80660566
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 62777923
(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130654803
(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone (CID 80661058) is (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCCC(Br)C1.
What is the InChIKey of (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The InChIKey is SVRXEQQQBXBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-7-5-9(7)10(13)12-4-2-3-8(11)6-12/h7-9H,2-6H2,1H3.
What are the key properties of (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone?
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone has a molecular weight of 246.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 80661058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).