4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol

C17H19ClN2O — CID 36839442

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(21)8-6-16/h1-8,21H,9-13H2
InChIKeyLIKYUQPKFJFOSM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.37
Rot. Bonds3

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

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol (PubChem CID 36839442) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
PubChem CID36839442
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(21)8-6-16/h1-8,21H,9-13H2
InChIKeyLIKYUQPKFJFOSM-UHFFFAOYSA-N
XLogP3.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
4-[4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 87852247
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]phenol
CID 9027604
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol (CID 36839442) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol?
The InChIKey is LIKYUQPKFJFOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(21)8-6-16/h1-8,21H,9-13H2.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol has a molecular weight of 302.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 36839442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).