1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol

C16H27N3O — CID 144727733

IUPAC1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)CN1CCN(CCN)CC1
InChIInChI=1S/C16H27N3O/c1-16(20,13-15-5-3-2-4-6-15)14-19-11-9-18(8-7-17)10-12-19/h2-6,20H,7-14,17H2,1H3
InChIKeyMHCFTJWPFKOLAF-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.56
Rot. Bonds6

About 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol

1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol (PubChem CID 144727733) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
PubChem CID144727733
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)CN1CCN(CCN)CC1
InChIInChI=1S/C16H27N3O/c1-16(20,13-15-5-3-2-4-6-15)14-19-11-9-18(8-7-17)10-12-19/h2-6,20H,7-14,17H2,1H3
InChIKeyMHCFTJWPFKOLAF-UHFFFAOYSA-N
XLogP0.56
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol (CID 144727733) is 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol is CC(O)(Cc1ccccc1)CN1CCN(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
The InChIKey is MHCFTJWPFKOLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(20,13-15-5-3-2-4-6-15)14-19-11-9-18(8-7-17)10-12-19/h2-6,20H,7-14,17H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol?
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol is sourced from PubChem (CID 144727733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).