1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol

C12H22BrNO — CID 65001565

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C12H22BrNO/c13-9-12(5-1-2-6-12)10-14-7-3-11(15)4-8-14/h11,15H,1-10H2
InChIKeyRDCHDBAICLPRRO-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.40
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol

1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol (PubChem CID 65001565) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
PubChem CID65001565
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C12H22BrNO/c13-9-12(5-1-2-6-12)10-14-7-3-11(15)4-8-14/h11,15H,1-10H2
InChIKeyRDCHDBAICLPRRO-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol (CID 65001565) is 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol is OC1CCN(CC2(CBr)CCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol?
The InChIKey is RDCHDBAICLPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c13-9-12(5-1-2-6-12)10-14-7-3-11(15)4-8-14/h11,15H,1-10H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol?
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol has a molecular weight of 276.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol is sourced from PubChem (CID 65001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).