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

C15H24N2O — CID 100995336

IUPAC4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol
SMILESCC(C)CN1CCNC[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-17-8-7-16-10-14(17)9-13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyGAKYFIFHHGKJIH-AWEZNQCLSA-N
MW248.37 g/mol
LogP1.86
Rot. Bonds4

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

4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol (PubChem CID 100995336) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol
PubChem CID100995336
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol
SMILESCC(C)CN1CCNC[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-17-8-7-16-10-14(17)9-13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyGAKYFIFHHGKJIH-AWEZNQCLSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol?
The IUPAC name of 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol (CID 100995336) is 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol is CC(C)CN1CCNC[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol?
The InChIKey is GAKYFIFHHGKJIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-17-8-7-16-10-14(17)9-13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol?
4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(2-methylpropyl)piperazin-2-yl]methyl]phenol is sourced from PubChem (CID 100995336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).