2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol

C12H19N3O — CID 62356299

IUPAC2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C12H19N3O/c16-7-3-11-2-1-6-15(9-11)10-12-8-13-4-5-14-12/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeyRXXKOTDPZFMREC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds4

About 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol

2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol (PubChem CID 62356299) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
PubChem CID62356299
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C12H19N3O/c16-7-3-11-2-1-6-15(9-11)10-12-8-13-4-5-14-12/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeyRXXKOTDPZFMREC-UHFFFAOYSA-N
XLogP1.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 62917165
(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
N-methyl-N-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 171995944
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
CID 125021370
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
1-(pyrazin-2-ylmethyl)piperidin-4-amine
CID 43556640
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
CID 125017567
2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
CID 82691447
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol (CID 62356299) is 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol is OCCC1CCCN(Cc2cnccn2)C1.
What is the InChIKey of 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol?
The InChIKey is RXXKOTDPZFMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-7-3-11-2-1-6-15(9-11)10-12-8-13-4-5-14-12/h4-5,8,11,16H,1-3,6-7,9-10H2.
What are the key properties of 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol?
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62356299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).