2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol

C17H28N2O — CID 62271685

IUPAC2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(C)N1CCN(CC(C)(CO)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)19-11-9-18(10-12-19)13-17(3,14-20)16-7-5-4-6-8-16/h4-8,15,20H,9-14H2,1-3H3
InChIKeyRCCGKJSFSWCQPS-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol

2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 62271685) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID62271685
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(C)N1CCN(CC(C)(CO)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)19-11-9-18(10-12-19)13-17(3,14-20)16-7-5-4-6-8-16/h4-8,15,20H,9-14H2,1-3H3
InChIKeyRCCGKJSFSWCQPS-UHFFFAOYSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 55055369
2-methyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-ol
CID 62271259
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62261469
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
CID 162767005
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 62257885
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol (CID 62271685) is 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol is CC(C)N1CCN(CC(C)(CO)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is RCCGKJSFSWCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)19-11-9-18(10-12-19)13-17(3,14-20)16-7-5-4-6-8-16/h4-8,15,20H,9-14H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 62271685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).