1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol

C12H17BrN2O — CID 103898383

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Br)cn2)CC1O
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-15(8-12(9)16)7-11-3-2-10(13)6-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyWEZYTHIRBVUQRX-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.05
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol

1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 103898383) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
PubChem CID103898383
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Br)cn2)CC1O
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-15(8-12(9)16)7-11-3-2-10(13)6-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyWEZYTHIRBVUQRX-UHFFFAOYSA-N
XLogP2.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
CID 103056974
1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102785132
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681312

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol (CID 103898383) is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2ccc(Br)cn2)CC1O.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is WEZYTHIRBVUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-4-5-15(8-12(9)16)7-11-3-2-10(13)6-14-11/h2-3,6,9,12,16H,4-5,7-8H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol?
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 285.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).