[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol

C15H23BrN2O — CID 82972414

IUPAC[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
SMILESCNC(C)c1cc(Br)ccc1N1CCC(CO)CC1
InChIInChI=1S/C15H23BrN2O/c1-11(17-2)14-9-13(16)3-4-15(14)18-7-5-12(10-19)6-8-18/h3-4,9,11-12,17,19H,5-8,10H2,1-2H3
InChIKeyCYRQUKFJOHXWRC-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.94
Rot. Bonds4

About [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol

[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol (PubChem CID 82972414) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
PubChem CID82972414
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
SMILESCNC(C)c1cc(Br)ccc1N1CCC(CO)CC1
InChIInChI=1S/C15H23BrN2O/c1-11(17-2)14-9-13(16)3-4-15(14)18-7-5-12(10-19)6-8-18/h3-4,9,11-12,17,19H,5-8,10H2,1-2H3
InChIKeyCYRQUKFJOHXWRC-UHFFFAOYSA-N
XLogP2.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

2-[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]oxyethanol
CID 82955668
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82968790
1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
CID 82968737
1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 82968673
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
1-[4-bromo-2-(4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82972089
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968937
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromophenyl]-N-methylethanamine
CID 82955447
2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol (CID 82972414) is [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol is CNC(C)c1cc(Br)ccc1N1CCC(CO)CC1.
What is the InChIKey of [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is CYRQUKFJOHXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(17-2)14-9-13(16)3-4-15(14)18-7-5-12(10-19)6-8-18/h3-4,9,11-12,17,19H,5-8,10H2,1-2H3.
What are the key properties of [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol?
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 82972414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).