[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol

C12H17BrN2O — CID 106876332

IUPAC[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
SMILESCc1ccnc(N2CCC(CO)CC2)c1Br
InChIInChI=1S/C12H17BrN2O/c1-9-2-5-14-12(11(9)13)15-6-3-10(8-16)4-7-15/h2,5,10,16H,3-4,6-8H2,1H3
InChIKeyRRKOCDWJWWBSBW-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.36
Rot. Bonds2

About [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol

[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 106876332) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
PubChem CID106876332
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
SMILESCc1ccnc(N2CCC(CO)CC2)c1Br
InChIInChI=1S/C12H17BrN2O/c1-9-2-5-14-12(11(9)13)15-6-3-10(8-16)4-7-15/h2,5,10,16H,3-4,6-8H2,1H3
InChIKeyRRKOCDWJWWBSBW-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 106876147
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 166915934
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
CID 106876353
1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
CID 106876171
[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
CID 121417659

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol (CID 106876332) is [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol is Cc1ccnc(N2CCC(CO)CC2)c1Br.
What is the InChIKey of [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is RRKOCDWJWWBSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-2-5-14-12(11(9)13)15-6-3-10(8-16)4-7-15/h2,5,10,16H,3-4,6-8H2,1H3.
What are the key properties of [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol?
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 285.18 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 106876332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).