4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol

C13H22N4O2 — CID 18695916

IUPAC4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
SMILESCc1nccnc1NCCN1CCC(CO)C(O)C1
InChIInChI=1S/C13H22N4O2/c1-10-13(15-4-3-14-10)16-5-7-17-6-2-11(9-18)12(19)8-17/h3-4,11-12,18-19H,2,5-9H2,1H3,(H,15,16)
InChIKeyUGKPBTCFYCJKBA-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.13
Rot. Bonds5

About 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol

4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol (PubChem CID 18695916) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
PubChem CID18695916
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
SMILESCc1nccnc1NCCN1CCC(CO)C(O)C1
InChIInChI=1S/C13H22N4O2/c1-10-13(15-4-3-14-10)16-5-7-17-6-2-11(9-18)12(19)8-17/h3-4,11-12,18-19H,2,5-9H2,1H3,(H,15,16)
InChIKeyUGKPBTCFYCJKBA-UHFFFAOYSA-N
XLogP-0.13
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol (CID 18695916) is 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol is Cc1nccnc1NCCN1CCC(CO)C(O)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol?
The InChIKey is UGKPBTCFYCJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-13(15-4-3-14-10)16-5-7-17-6-2-11(9-18)12(19)8-17/h3-4,11-12,18-19H,2,5-9H2,1H3,(H,15,16).
What are the key properties of 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol?
4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol has a molecular weight of 266.34 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol is sourced from PubChem (CID 18695916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).