1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol

C12H19N3O — CID 141230440

IUPAC1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h2-5,11,16H,6-10H2,1H3
InChIKeyMLAVOZCKNYLLFA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.54
Rot. Bonds3

About 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol

1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 141230440) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID141230440
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h2-5,11,16H,6-10H2,1H3
InChIKeyMLAVOZCKNYLLFA-UHFFFAOYSA-N
XLogP0.54
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055122
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328845
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 55470161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol (CID 141230440) is 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol is CC(O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is MLAVOZCKNYLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 141230440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).