1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine

C16H24N2O — CID 64953170

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOc3ccccc32)CCN1
InChIInChI=1S/C16H24N2O/c1-12(2)14-11-18(9-8-17-14)15-7-10-19-16-6-4-3-5-13(15)16/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyXWUQZGNWRVNCBZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine

1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine (PubChem CID 64953170) 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-yl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
PubChem CID64953170
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOc3ccccc32)CCN1
InChIInChI=1S/C16H24N2O/c1-12(2)14-11-18(9-8-17-14)15-7-10-19-16-6-4-3-5-13(15)16/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyXWUQZGNWRVNCBZ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
CID 177100016
1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine
CID 60978283
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934
(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine
CID 168956205
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
CID 104772013
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
CID 70922738
1-(3,4-dihydro-2H-chromen-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100742
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine (CID 64953170) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine is CC(C)C1CN(C2CCOc3ccccc32)CCN1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine?
The InChIKey is XWUQZGNWRVNCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-11-18(9-8-17-14)15-7-10-19-16-6-4-3-5-13(15)16/h3-6,12,14-15,17H,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.44, 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-yl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64953170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).