2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol

C14H22N2O — CID 780027

IUPAC2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-13-2-4-14(5-3-13)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3
InChIKeyNXGZYSZEGJCWMX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 780027) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID780027
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-13-2-4-14(5-3-13)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3
InChIKeyNXGZYSZEGJCWMX-UHFFFAOYSA-N
XLogP1.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676
2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 18798287
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 91774740
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
4-[(4-methylphenyl)methyl]piperazine-1-sulfinic acid
CID 123223011

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol (CID 780027) is 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol is Cc1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is NXGZYSZEGJCWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13-2-4-14(5-3-13)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3.
What are the key properties of 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 780027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).