[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol

C13H19BrN2O — CID 94334890

IUPAC[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol
SMILESCC[C@H]1CCCN(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C13H19BrN2O/c1-2-10-4-3-5-16(8-10)13-11(9-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyGZTWCCOSPTWYGA-JTQLQIEISA-N
MW299.21 g/mol
LogP2.96
Rot. Bonds3

About [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol

[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol (PubChem CID 94334890) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol
PubChem CID94334890
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol
SMILESCC[C@H]1CCCN(c2ncc(Br)cc2CO)C1
InChIInChI=1S/C13H19BrN2O/c1-2-10-4-3-5-16(8-10)13-11(9-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyGZTWCCOSPTWYGA-JTQLQIEISA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol (CID 94334890) is [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol is CC[C@H]1CCCN(c2ncc(Br)cc2CO)C1.
What is the InChIKey of [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol?
The InChIKey is GZTWCCOSPTWYGA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-10-4-3-5-16(8-10)13-11(9-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol?
[5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol has a molecular weight of 299.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3S)-3-ethylpiperidin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 94334890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).