[4-(3-bromopiperidin-1-yl)phenyl]methanol

C12H16BrNO — CID 66778806

IUPAC[4-(3-bromopiperidin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCCC(Br)C2)cc1
InChIInChI=1S/C12H16BrNO/c13-11-2-1-7-14(8-11)12-5-3-10(9-15)4-6-12/h3-6,11,15H,1-2,7-9H2
InChIKeySFLPKAQNGPLCPR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.54
Rot. Bonds2

About [4-(3-bromopiperidin-1-yl)phenyl]methanol

[4-(3-bromopiperidin-1-yl)phenyl]methanol (PubChem CID 66778806) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [4-(3-bromopiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3-bromopiperidin-1-yl)phenyl]methanol
PubChem CID66778806
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[4-(3-bromopiperidin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCCC(Br)C2)cc1
InChIInChI=1S/C12H16BrNO/c13-11-2-1-7-14(8-11)12-5-3-10(9-15)4-6-12/h3-6,11,15H,1-2,7-9H2
InChIKeySFLPKAQNGPLCPR-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
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1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
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[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
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[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-(3-bromopiperidin-1-yl)phenyl]methanol?
The IUPAC name of [4-(3-bromopiperidin-1-yl)phenyl]methanol (CID 66778806) is [4-(3-bromopiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-(3-bromopiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-(3-bromopiperidin-1-yl)phenyl]methanol is OCc1ccc(N2CCCC(Br)C2)cc1.
What is the InChIKey of [4-(3-bromopiperidin-1-yl)phenyl]methanol?
The InChIKey is SFLPKAQNGPLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-2-1-7-14(8-11)12-5-3-10(9-15)4-6-12/h3-6,11,15H,1-2,7-9H2.
What are the key properties of [4-(3-bromopiperidin-1-yl)phenyl]methanol?
[4-(3-bromopiperidin-1-yl)phenyl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromopiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 66778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).