2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol

C22H30N2O3 — CID 1148366

IUPAC2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C22H30N2O3/c1-26-20-15-19(16-21(27-2)22(20)25)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-16,25H,6,9-14,17H2,1-2H3
InChIKeyURFOZFBMTMPBML-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.16
Rot. Bonds8

About 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol

2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 1148366) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID1148366
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C22H30N2O3/c1-26-20-15-19(16-21(27-2)22(20)25)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-16,25H,6,9-14,17H2,1-2H3
InChIKeyURFOZFBMTMPBML-UHFFFAOYSA-N
XLogP3.16
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol (CID 1148366) is 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol is COc1cc(CN2CCN(CCCc3ccccc3)CC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is URFOZFBMTMPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-26-20-15-19(16-21(27-2)22(20)25)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-16,25H,6,9-14,17H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 370.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 1148366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).