[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol

C13H24BrNO2 — CID 65004548

IUPAC[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(CBr)CCOCC2)CC1
InChIInChI=1S/C13H24BrNO2/c14-10-13(3-7-17-8-4-13)11-15-5-1-12(9-16)2-6-15/h12,16H,1-11H2
InChIKeyGUMLNTWUXDGSHA-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.88
Rot. Bonds4

About [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol

[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 65004548) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID65004548
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC Name[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(CBr)CCOCC2)CC1
InChIInChI=1S/C13H24BrNO2/c14-10-13(3-7-17-8-4-13)11-15-5-1-12(9-16)2-6-15/h12,16H,1-11H2
InChIKeyGUMLNTWUXDGSHA-UHFFFAOYSA-N
XLogP1.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65004912
[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol
CID 112628030
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
methyl 1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidine-4-carboxylate
CID 65004644
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1,4-oxazepane
CID 65004814
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
CID 63971822
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65497226

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol (CID 65004548) is [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol is OCC1CCN(CC2(CBr)CCOCC2)CC1.
What is the InChIKey of [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is GUMLNTWUXDGSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c14-10-13(3-7-17-8-4-13)11-15-5-1-12(9-16)2-6-15/h12,16H,1-11H2.
What are the key properties of [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol?
[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 306.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 65004548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).