4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

C15H24N2O — CID 113222701

IUPAC4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)CN1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-3-5-15(18)6-4-14/h3-6,13,18H,7-12H2,1-2H3
InChIKeyAHSKQZQYDLALIJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds4

About 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 113222701) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID113222701
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)CN1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-3-5-15(18)6-4-14/h3-6,13,18H,7-12H2,1-2H3
InChIKeyAHSKQZQYDLALIJ-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 53239823
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (CID 113222701) is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is CC(C)CN1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is AHSKQZQYDLALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-3-5-15(18)6-4-14/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 113222701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).