4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol

C14H20BrNO — CID 80670897

IUPAC4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCCCC2CCBr)cc1
InChIInChI=1S/C14H20BrNO/c15-9-8-13-3-1-2-10-16(13)11-12-4-6-14(17)7-5-12/h4-7,13,17H,1-3,8-11H2
InChIKeyZUYJQZVWFTWRMJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.53
Rot. Bonds4

About 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol

4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol (PubChem CID 80670897) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
PubChem CID80670897
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCCCC2CCBr)cc1
InChIInChI=1S/C14H20BrNO/c15-9-8-13-3-1-2-10-16(13)11-12-4-6-14(17)7-5-12/h4-7,13,17H,1-3,8-11H2
InChIKeyZUYJQZVWFTWRMJ-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.53
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

2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80691743
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol (CID 80670897) is 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol is Oc1ccc(CN2CCCCC2CCBr)cc1.
What is the InChIKey of 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is ZUYJQZVWFTWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-9-8-13-3-1-2-10-16(13)11-12-4-6-14(17)7-5-12/h4-7,13,17H,1-3,8-11H2.
What are the key properties of 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol?
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 80670897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).