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

C13H22N4O — CID 10933938

IUPAC[1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1nccnc1NCCN1CCC(CO)CC1
InChIInChI=1S/C13H22N4O/c1-11-13(15-5-4-14-11)16-6-9-17-7-2-12(10-18)3-8-17/h4-5,12,18H,2-3,6-10H2,1H3,(H,15,16)
InChIKeyDVPLESUVJWVKIA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds5

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

[1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol (PubChem CID 10933938) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol
PubChem CID10933938
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1nccnc1NCCN1CCC(CO)CC1
InChIInChI=1S/C13H22N4O/c1-11-13(15-5-4-14-11)16-6-9-17-7-2-12(10-18)3-8-17/h4-5,12,18H,2-3,6-10H2,1H3,(H,15,16)
InChIKeyDVPLESUVJWVKIA-UHFFFAOYSA-N
XLogP0.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol (CID 10933938) is [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol is Cc1nccnc1NCCN1CCC(CO)CC1.
What is the InChIKey of [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The InChIKey is DVPLESUVJWVKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-13(15-5-4-14-11)16-6-9-17-7-2-12(10-18)3-8-17/h4-5,12,18H,2-3,6-10H2,1H3,(H,15,16).
What are the key properties of [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
[1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 10933938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).