[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol

C9H14BrN3O — CID 118227167

IUPAC[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol
SMILESOCC1CNCCC1n1cc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c10-8-4-12-13(5-8)9-1-2-11-3-7(9)6-14/h4-5,7,9,11,14H,1-3,6H2
InChIKeyDWOGPTILRISHHM-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.79
Rot. Bonds2

About [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol

[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol (PubChem CID 118227167) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol
PubChem CID118227167
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol
SMILESOCC1CNCCC1n1cc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c10-8-4-12-13(5-8)9-1-2-11-3-7(9)6-14/h4-5,7,9,11,14H,1-3,6H2
InChIKeyDWOGPTILRISHHM-UHFFFAOYSA-N
XLogP0.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol?
The IUPAC name of [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol (CID 118227167) is [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol is OCC1CNCCC1n1cc(Br)cn1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol?
The InChIKey is DWOGPTILRISHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c10-8-4-12-13(5-8)9-1-2-11-3-7(9)6-14/h4-5,7,9,11,14H,1-3,6H2.
What are the key properties of [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol?
[4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol has a molecular weight of 260.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 118227167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).