[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol

C15H22BrNO — CID 65016137

IUPAC[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC(CBr)c2ccccc2)CC1
InChIInChI=1S/C15H22BrNO/c16-10-15(14-4-2-1-3-5-14)11-17-8-6-13(12-18)7-9-17/h1-5,13,15,18H,6-12H2
InChIKeyFICFXXSTZOXOFO-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.87
Rot. Bonds5

About [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol

[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 65016137) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
PubChem CID65016137
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC(CBr)c2ccccc2)CC1
InChIInChI=1S/C15H22BrNO/c16-10-15(14-4-2-1-3-5-14)11-17-8-6-13(12-18)7-9-17/h1-5,13,15,18H,6-12H2
InChIKeyFICFXXSTZOXOFO-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
CID 65015412
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 56662037
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
1-(3-bromo-2-phenylpropyl)-5-propan-2-ylazepan-2-one
CID 65014455
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol (CID 65016137) is [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol is OCC1CCN(CC(CBr)c2ccccc2)CC1.
What is the InChIKey of [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is FICFXXSTZOXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-10-15(14-4-2-1-3-5-14)11-17-8-6-13(12-18)7-9-17/h1-5,13,15,18H,6-12H2.
What are the key properties of [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol?
[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 312.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 65016137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).