(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine

C12H19N3O — CID 104977568

IUPAC(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
SMILESCCOc1cccc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-16-12-6-4-5-11(14-12)15-8-7-13-10(2)9-15/h4-6,10,13H,3,7-9H2,1-2H3/t10-/m0/s1
InChIKeyWSIRMDHQMXOZDZ-JTQLQIEISA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds3

About (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine

(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine (PubChem CID 104977568) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
PubChem CID104977568
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
SMILESCCOc1cccc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3O/c1-3-16-12-6-4-5-11(14-12)15-8-7-13-10(2)9-15/h4-6,10,13H,3,7-9H2,1-2H3/t10-/m0/s1
InChIKeyWSIRMDHQMXOZDZ-JTQLQIEISA-N
XLogP1.28
TPSA37.39 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine
CID 86331644
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
CID 71639395
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
CID 79675246
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
CID 79676825
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine (CID 104977568) is (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine is CCOc1cccc(N2CCN[C@@H](C)C2)n1.
What is the InChIKey of (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine?
The InChIKey is WSIRMDHQMXOZDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-16-12-6-4-5-11(14-12)15-8-7-13-10(2)9-15/h4-6,10,13H,3,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine?
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine has a molecular weight of 221.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 104977568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).