2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol

C15H22BrNO — CID 83057106

IUPAC2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCCCN1Cc1cccc(Br)c1O
InChIInChI=1S/C15H22BrNO/c1-2-6-13-8-3-4-10-17(13)11-12-7-5-9-14(16)15(12)18/h5,7,9,13,18H,2-4,6,8,10-11H2,1H3
InChIKeyQEVUPQYWETYIOZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.31
Rot. Bonds4

About 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol

2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol (PubChem CID 83057106) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
PubChem CID83057106
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCCCN1Cc1cccc(Br)c1O
InChIInChI=1S/C15H22BrNO/c1-2-6-13-8-3-4-10-17(13)11-12-7-5-9-14(16)15(12)18/h5,7,9,13,18H,2-4,6,8,10-11H2,1H3
InChIKeyQEVUPQYWETYIOZ-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
4-bromo-3-[(2-propylpiperidin-1-yl)methyl]aniline
CID 83056021
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol (CID 83057106) is 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol is CCCC1CCCCN1Cc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol?
The InChIKey is QEVUPQYWETYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-6-13-8-3-4-10-17(13)11-12-7-5-9-14(16)15(12)18/h5,7,9,13,18H,2-4,6,8,10-11H2,1H3.
What are the key properties of 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol?
2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol has a molecular weight of 312.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 83057106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).