[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol

C11H18N4O — CID 62672351

IUPAC[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol
SMILESNCc1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H18N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5-8,12H2
InChIKeyHQPPEBJGMOJZBL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds3

About [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol

[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol (PubChem CID 62672351) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol
PubChem CID62672351
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol
SMILESNCc1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H18N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5-8,12H2
InChIKeyHQPPEBJGMOJZBL-UHFFFAOYSA-N
XLogP0.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol (CID 62672351) is [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol is NCc1nccnc1N1CCCC(CO)C1.
What is the InChIKey of [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol?
The InChIKey is HQPPEBJGMOJZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5-8,12H2.
What are the key properties of [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol?
[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 62672351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).