3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol

C16H26N2O — CID 63621095

IUPAC3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCN(C)C(C)C1)C(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(16(19)15-7-5-4-6-8-15)11-18-10-9-17(3)14(2)12-18/h4-8,13-14,16,19H,9-12H2,1-3H3
InChIKeyGXKNSHKPGOHBGD-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds4

About 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol

3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 63621095) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
PubChem CID63621095
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCN(C)C(C)C1)C(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(16(19)15-7-5-4-6-8-15)11-18-10-9-17(3)14(2)12-18/h4-8,13-14,16,19H,9-12H2,1-3H3
InChIKeyGXKNSHKPGOHBGD-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
CID 62618309
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
2-methyl-1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745849
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol (CID 63621095) is 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol is CC(CN1CCN(C)C(C)C1)C(O)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is GXKNSHKPGOHBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(16(19)15-7-5-4-6-8-15)11-18-10-9-17(3)14(2)12-18/h4-8,13-14,16,19H,9-12H2,1-3H3.
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol?
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63621095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).