2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol

C18H30N2O2 — CID 83978662

IUPAC2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccc(C(CO)N2CCNCC2C)cc1
InChIInChI=1S/C18H30N2O2/c1-3-4-5-12-22-17-8-6-16(7-9-17)18(14-21)20-11-10-19-13-15(20)2/h6-9,15,18-19,21H,3-5,10-14H2,1-2H3
InChIKeySXWVPWUOCYNVAL-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.58
Rot. Bonds8

About 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol

2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol (PubChem CID 83978662) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
PubChem CID83978662
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccc(C(CO)N2CCNCC2C)cc1
InChIInChI=1S/C18H30N2O2/c1-3-4-5-12-22-17-8-6-16(7-9-17)18(14-21)20-11-10-19-13-15(20)2/h6-9,15,18-19,21H,3-5,10-14H2,1-2H3
InChIKeySXWVPWUOCYNVAL-UHFFFAOYSA-N
XLogP2.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979306
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83979295
(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
CID 10149558
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910772
5-(4-bromophenoxy)-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119470273

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol (CID 83978662) is 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol is CCCCCOc1ccc(C(CO)N2CCNCC2C)cc1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol?
The InChIKey is SXWVPWUOCYNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-4-5-12-22-17-8-6-16(7-9-17)18(14-21)20-11-10-19-13-15(20)2/h6-9,15,18-19,21H,3-5,10-14H2,1-2H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol?
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol has a molecular weight of 306.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol is sourced from PubChem (CID 83978662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).