1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

C12H21N3 — CID 91490711

IUPAC1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCCN1CCN(C2N=CC=CC2C)CC1
InChIInChI=1S/C12H21N3/c1-3-14-7-9-15(10-8-14)12-11(2)5-4-6-13-12/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyAQWTYHVDRPOGIA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.23
Rot. Bonds2

About 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine

1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (PubChem CID 91490711) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
PubChem CID91490711
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
SMILESCCN1CCN(C2N=CC=CC2C)CC1
InChIInChI=1S/C12H21N3/c1-3-14-7-9-15(10-8-14)12-11(2)5-4-6-13-12/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyAQWTYHVDRPOGIA-UHFFFAOYSA-N
XLogP1.23
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
CID 144656714
1-(5-Methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
CID 70843752
1-Tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 90871964
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
CID 143058901
ethane;(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144771
1-(3-Methyl-2,3-dihydropyridin-2-yl)piperazine
CID 146890252
2-Piperidin-1-yl-2,3-dihydropyridine
CID 147549646
4-(2,3-Dihydropyridin-3-yl)-1,2,2-trimethylpiperazine
CID 169847271
1-(2,5-Dihydropyridin-2-yl)-4-methanidylpiperazine
CID 91076122
(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144772
(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
CID 169103840

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The IUPAC name of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine (CID 91490711) is 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is CCN1CCN(C2N=CC=CC2C)CC1.
What is the InChIKey of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
The InChIKey is AQWTYHVDRPOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-14-7-9-15(10-8-14)12-11(2)5-4-6-13-12/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine?
1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine has a molecular weight of 207.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine is sourced from PubChem (CID 91490711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).