ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol

C19H34N2O — CID 91212173

IUPACethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
SMILESCC.CC(O)C(C)(CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O.C2H6/c1-15(20)17(2,16-7-5-4-6-8-16)9-10-19-13-11-18(3)12-14-19;1-2/h4-8,15,20H,9-14H2,1-3H3;1-2H3
InChIKeyMWWLVCFGKNRESR-UHFFFAOYSA-N
MW306.49 g/mol
LogP2.99
Rot. Bonds5

About ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol

ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol (PubChem CID 91212173) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol.

Molecular Properties

Compound Nameethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
PubChem CID91212173
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Nameethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
SMILESCC.CC(O)C(C)(CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O.C2H6/c1-15(20)17(2,16-7-5-4-6-8-16)9-10-19-13-11-18(3)12-14-19;1-2/h4-8,15,20H,9-14H2,1-3H3;1-2H3
InChIKeyMWWLVCFGKNRESR-UHFFFAOYSA-N
XLogP2.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol
CID 70596954
N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 122144352
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
CID 149041478
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
CID 123975166
CID 123975166

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol?
The IUPAC name of ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol (CID 91212173) is ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol.
What is the SMILES notation for ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol?
The canonical SMILES for ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol is CC.CC(O)C(C)(CCN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol?
The InChIKey is MWWLVCFGKNRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.C2H6/c1-15(20)17(2,16-7-5-4-6-8-16)9-10-19-13-11-18(3)12-14-19;1-2/h4-8,15,20H,9-14H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol?
ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol is sourced from PubChem (CID 91212173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).