[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol

C13H19BrN2O2 — CID 106588323

IUPAC[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1CCCN(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C13H19BrN2O2/c1-18-9-10-3-2-4-16(7-10)13-11(8-17)5-12(14)6-15-13/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyGTUDPCIVERWWBH-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.20
Rot. Bonds4

About [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol

[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol (PubChem CID 106588323) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
PubChem CID106588323
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1CCCN(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C13H19BrN2O2/c1-18-9-10-3-2-4-16(7-10)13-11(8-17)5-12(14)6-15-13/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyGTUDPCIVERWWBH-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol (CID 106588323) is [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol is COCC1CCCN(c2ncc(Br)cc2CO)C1.
What is the InChIKey of [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The InChIKey is GTUDPCIVERWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-18-9-10-3-2-4-16(7-10)13-11(8-17)5-12(14)6-15-13/h5-6,10,17H,2-4,7-9H2,1H3.
What are the key properties of [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol has a molecular weight of 315.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 106588323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).