1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine

C16H24N2O — CID 104768693

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2)12-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyKMYQCFLQRPGQTB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine (PubChem CID 104768693) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
PubChem CID104768693
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2)12-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyKMYQCFLQRPGQTB-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
CID 104772013
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine (CID 104768693) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine is CC1(C)CNCCN1CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine?
The InChIKey is KMYQCFLQRPGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)12-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.24, 2 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)-2,2-dimethylpiperazine is sourced from PubChem (CID 104768693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).