3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol

C17H19ClN2O — CID 2838458

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)20-10-8-19(9-11-20)13-14-2-1-3-17(21)12-14/h1-7,12,21H,8-11,13H2
InChIKeyNVLCCFSZDLLHDM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.37
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol (PubChem CID 2838458) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
PubChem CID2838458
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)20-10-8-19(9-11-20)13-14-2-1-3-17(21)12-14/h1-7,12,21H,8-11,13H2
InChIKeyNVLCCFSZDLLHDM-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

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]phenol
CID 36839446
1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 135144443
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol (CID 2838458) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol is Oc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is NVLCCFSZDLLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)20-10-8-19(9-11-20)13-14-2-1-3-17(21)12-14/h1-7,12,21H,8-11,13H2.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]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 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 2838458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).