[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone

C14H24BrNO2 — CID 107184264

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H24BrNO2/c1-11-3-2-4-13(11)14(17)16-8-5-12(6-9-16)18-10-7-15/h11-13H,2-10H2,1H3
InChIKeyOURUAJXXPQTMSR-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.83
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone

[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone (PubChem CID 107184264) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
PubChem CID107184264
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H24BrNO2/c1-11-3-2-4-13(11)14(17)16-8-5-12(6-9-16)18-10-7-15/h11-13H,2-10H2,1H3
InChIKeyOURUAJXXPQTMSR-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone (CID 107184264) is [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone?
The InChIKey is OURUAJXXPQTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c1-11-3-2-4-13(11)14(17)16-8-5-12(6-9-16)18-10-7-15/h11-13H,2-10H2,1H3.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone?
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone has a molecular weight of 318.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107184264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).