2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol

C18H31N3O — CID 112539318

IUPAC2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C(CO)c2ccc(N(C)C)cc2)C(C)C1
InChIInChI=1S/C18H31N3O/c1-5-10-20-11-12-21(15(2)13-20)18(14-22)16-6-8-17(9-7-16)19(3)4/h6-9,15,18,22H,5,10-14H2,1-4H3
InChIKeyBEUSPJLLPFGFMP-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.20
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol

2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol (PubChem CID 112539318) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
PubChem CID112539318
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(C(CO)c2ccc(N(C)C)cc2)C(C)C1
InChIInChI=1S/C18H31N3O/c1-5-10-20-11-12-21(15(2)13-20)18(14-22)16-6-8-17(9-7-16)19(3)4/h6-9,15,18,22H,5,10-14H2,1-4H3
InChIKeyBEUSPJLLPFGFMP-UHFFFAOYSA-N
XLogP2.20
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539241
4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977871
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
2-[4-(2-methylpropoxy)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)acetic acid
CID 112540231
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
CID 112540510
4-(4-benzhydryl-3-methylpiperazin-1-yl)butyl-(4-chlorophenyl)carbamic acid
CID 57361781
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 112539444
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol (CID 112539318) is 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol is CCCN1CCN(C(CO)c2ccc(N(C)C)cc2)C(C)C1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
The InChIKey is BEUSPJLLPFGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-5-10-20-11-12-21(15(2)13-20)18(14-22)16-6-8-17(9-7-16)19(3)4/h6-9,15,18,22H,5,10-14H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol?
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol has a molecular weight of 305.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol is sourced from PubChem (CID 112539318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).