1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine

C12H19N3O — CID 138472326

IUPAC1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
SMILESCOCc1ncccc1CN1CCNCC1
InChIInChI=1S/C12H19N3O/c1-16-10-12-11(3-2-4-14-12)9-15-7-5-13-6-8-15/h2-4,13H,5-10H2,1H3
InChIKeyYTCNHFNYETVLKK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.63
Rot. Bonds4

About 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine

1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 138472326) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
PubChem CID138472326
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
SMILESCOCc1ncccc1CN1CCNCC1
InChIInChI=1S/C12H19N3O/c1-16-10-12-11(3-2-4-14-12)9-15-7-5-13-6-8-15/h2-4,13H,5-10H2,1H3
InChIKeyYTCNHFNYETVLKK-UHFFFAOYSA-N
XLogP0.63
TPSA37.39 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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-[(2-ethoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83896731
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol
CID 83897174
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine (CID 138472326) is 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine is COCc1ncccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is YTCNHFNYETVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-10-12-11(3-2-4-14-12)9-15-7-5-13-6-8-15/h2-4,13H,5-10H2,1H3.
What are the key properties of 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine?
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 221.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 138472326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).