2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine

C16H25N3O — CID 98019620

IUPAC2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(Cc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H25N3O/c17-5-6-18-7-9-19(10-8-18)13-14-3-4-16-15(12-14)2-1-11-20-16/h3-4,12H,1-2,5-11,13,17H2
InChIKeyFEGXQIJVPVJRBH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.09
Rot. Bonds4

About 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine

2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine (PubChem CID 98019620) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine
PubChem CID98019620
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(Cc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H25N3O/c17-5-6-18-7-9-19(10-8-18)13-14-3-4-16-15(12-14)2-1-11-20-16/h3-4,12H,1-2,5-11,13,17H2
InChIKeyFEGXQIJVPVJRBH-UHFFFAOYSA-N
XLogP1.09
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperazin-1-yl]ethanamine
CID 98021183
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
1-(3,4-dihydro-2H-chromen-6-yl)-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 18399632
(3aR,7aR)-2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9324129
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302
7-(pyrrolidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 86820604
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine (CID 98019620) is 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine is NCCN1CCN(Cc2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is FEGXQIJVPVJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-5-6-18-7-9-19(10-8-18)13-14-3-4-16-15(12-14)2-1-11-20-16/h3-4,12H,1-2,5-11,13,17H2.
What are the key properties of 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine?
2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 98019620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).