1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol

C17H25BrN2O — CID 106836686

IUPAC1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H25BrN2O/c1-12(21)13-6-8-20(9-7-13)17-10-15(18)3-2-14(17)11-19-16-4-5-16/h2-3,10,12-13,16,19,21H,4-9,11H2,1H3
InChIKeyGBHYUCMDHKYKFB-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.30
Rot. Bonds5

About 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol

1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol (PubChem CID 106836686) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
PubChem CID106836686
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H25BrN2O/c1-12(21)13-6-8-20(9-7-13)17-10-15(18)3-2-14(17)11-19-16-4-5-16/h2-3,10,12-13,16,19,21H,4-9,11H2,1H3
InChIKeyGBHYUCMDHKYKFB-UHFFFAOYSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356996
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
CID 62205571
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836240

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol (CID 106836686) is 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1.
What is the InChIKey of 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The InChIKey is GBHYUCMDHKYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-12(21)13-6-8-20(9-7-13)17-10-15(18)3-2-14(17)11-19-16-4-5-16/h2-3,10,12-13,16,19,21H,4-9,11H2,1H3.
What are the key properties of 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol?
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol has a molecular weight of 353.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).