[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol

C12H17BrN2O — CID 115052226

IUPAC[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9,14H2
InChIKeyMTHSMJYPPODUMC-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.74
Rot. Bonds2

About [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol

[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol (PubChem CID 115052226) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
PubChem CID115052226
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9,14H2
InChIKeyMTHSMJYPPODUMC-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-1-(4-methylphenyl)azepan-4-yl]methanol
CID 115040445
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
CID 115052415
[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 117012141
[4-amino-1-(4-bromo-2-nitrophenyl)piperidin-4-yl]methanol
CID 133313056
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
[1-(4-bromophenyl)-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115053451
6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042
1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 170554897
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol (CID 115052226) is [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol is NC1(CO)CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol?
The InChIKey is MTHSMJYPPODUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9,14H2.
What are the key properties of [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol?
[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol has a molecular weight of 285.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 115052226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).