1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine

C17H26N2O — CID 104772091

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(CC2CCOc3ccccc32)C(C)CN1
InChIInChI=1S/C17H26N2O/c1-3-15-12-19(13(2)10-18-15)11-14-8-9-20-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3
InChIKeyFBKPJGQOFCVLBG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine (PubChem CID 104772091) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
PubChem CID104772091
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(CC2CCOc3ccccc32)C(C)CN1
InChIInChI=1S/C17H26N2O/c1-3-15-12-19(13(2)10-18-15)11-14-8-9-20-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3
InChIKeyFBKPJGQOFCVLBG-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
CID 104772013
1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907362
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine (CID 104772091) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine is CCC1CN(CC2CCOc3ccccc32)C(C)CN1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine?
The InChIKey is FBKPJGQOFCVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-15-12-19(13(2)10-18-15)11-14-8-9-20-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 104772091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).