ethane;1-methyl-4-pyridin-3-ylpiperazine

C12H21N3 — CID 144911309

IUPACethane;1-methyl-4-pyridin-3-ylpiperazine
SMILESCC.CN1CCN(c2cccnc2)CC1
InChIInChI=1S/C10H15N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyNZUIGIYXTDXSHP-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.86
Rot. Bonds1

About ethane;1-methyl-4-pyridin-3-ylpiperazine

ethane;1-methyl-4-pyridin-3-ylpiperazine (PubChem CID 144911309) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;1-methyl-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-pyridin-3-ylpiperazine
PubChem CID144911309
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;1-methyl-4-pyridin-3-ylpiperazine
SMILESCC.CN1CCN(c2cccnc2)CC1
InChIInChI=1S/C10H15N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyNZUIGIYXTDXSHP-UHFFFAOYSA-N
XLogP1.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
CID 177158844
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
CID 24758608
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
2-chloro-4-(methanethioylamino)benzoic acid;1-methyl-4-pyridin-3-ylpiperazine
CID 177332553
2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 72898587
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-pyridin-3-ylpiperazine?
The IUPAC name of ethane;1-methyl-4-pyridin-3-ylpiperazine (CID 144911309) is ethane;1-methyl-4-pyridin-3-ylpiperazine.
What is the SMILES notation for ethane;1-methyl-4-pyridin-3-ylpiperazine?
The canonical SMILES for ethane;1-methyl-4-pyridin-3-ylpiperazine is CC.CN1CCN(c2cccnc2)CC1.
What is the InChIKey of ethane;1-methyl-4-pyridin-3-ylpiperazine?
The InChIKey is NZUIGIYXTDXSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h2-4,9H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-pyridin-3-ylpiperazine?
ethane;1-methyl-4-pyridin-3-ylpiperazine has a molecular weight of 207.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 144911309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).