2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol

C12H20N4O — CID 55046739

IUPAC2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc(CN2CCN(CCO)CC2)cn1
InChIInChI=1S/C12H20N4O/c13-12-2-1-11(9-14-12)10-16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8,10H2,(H2,13,14)
InChIKeyVELYTHUFTZBYQQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.23
Rot. Bonds4

About 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol

2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol (PubChem CID 55046739) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
PubChem CID55046739
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc(CN2CCN(CCO)CC2)cn1
InChIInChI=1S/C12H20N4O/c13-12-2-1-11(9-14-12)10-16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8,10H2,(H2,13,14)
InChIKeyVELYTHUFTZBYQQ-UHFFFAOYSA-N
XLogP-0.23
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
5-[[4-[(4-cyclobutylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 143896367
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl] benzoate
CID 152883392
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103358276
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol (CID 55046739) is 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol is Nc1ccc(CN2CCN(CCO)CC2)cn1.
What is the InChIKey of 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is VELYTHUFTZBYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-12-2-1-11(9-14-12)10-16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8,10H2,(H2,13,14).
What are the key properties of 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 55046739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).