[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol

C16H25BrN2O — CID 43281531

IUPAC[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)NCc1ccc(Br)cc1N1CCC(CO)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(2)18-10-14-3-4-15(17)9-16(14)19-7-5-13(11-20)6-8-19/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3
InChIKeySHHOPJCXYKUEBX-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.16
Rot. Bonds5

About [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol

[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 43281531) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
PubChem CID43281531
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)NCc1ccc(Br)cc1N1CCC(CO)CC1
InChIInChI=1S/C16H25BrN2O/c1-12(2)18-10-14-3-4-15(17)9-16(14)19-7-5-13(11-20)6-8-19/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3
InChIKeySHHOPJCXYKUEBX-UHFFFAOYSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-bromophenyl]methyl]propan-2-amine
CID 79929693
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281551
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174

Frequently Asked Questions

What is the IUPAC name of [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol (CID 43281531) is [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol is CC(C)NCc1ccc(Br)cc1N1CCC(CO)CC1.
What is the InChIKey of [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is SHHOPJCXYKUEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)18-10-14-3-4-15(17)9-16(14)19-7-5-13(11-20)6-8-19/h3-4,9,12-13,18,20H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 341.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43281531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).