2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol

C14H22N2O — CID 2842776

IUPAC2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cccc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H22N2O/c1-13-3-2-4-14(11-13)12-16-7-5-15(6-8-16)9-10-17/h2-4,11,17H,5-10,12H2,1H3
InChIKeyJNGIXKIMMGZPOG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 2842776) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID2842776
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCc1cccc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C14H22N2O/c1-13-3-2-4-14(11-13)12-16-7-5-15(6-8-16)9-10-17/h2-4,11,17H,5-10,12H2,1H3
InChIKeyJNGIXKIMMGZPOG-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

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
1-[(3-methylphenyl)methyl]-4-(3-methylsulfanylbutyl)piperazine
CID 56889495
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol (CID 2842776) is 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol is Cc1cccc(CN2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is JNGIXKIMMGZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13-3-2-4-14(11-13)12-16-7-5-15(6-8-16)9-10-17/h2-4,11,17H,5-10,12H2,1H3.
What are the key properties of 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-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-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2842776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).