4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol

C20H34N2O — CID 170862664

IUPAC4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CCCN2CCN(C)CC2)cc(C(C)C)c1O
InChIInChI=1S/C20H34N2O/c1-15(2)18-13-17(14-19(16(3)4)20(18)23)7-6-8-22-11-9-21(5)10-12-22/h13-16,23H,6-12H2,1-5H3
InChIKeyJQVHPNRKTKGRTI-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.82
Rot. Bonds6

About 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol

4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol (PubChem CID 170862664) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
PubChem CID170862664
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CCCN2CCN(C)CC2)cc(C(C)C)c1O
InChIInChI=1S/C20H34N2O/c1-15(2)18-13-17(14-19(16(3)4)20(18)23)7-6-8-22-11-9-21(5)10-12-22/h13-16,23H,6-12H2,1-5H3
InChIKeyJQVHPNRKTKGRTI-UHFFFAOYSA-N
XLogP3.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-propan-2-ylphenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-propan-2-ylphenol
CID 59837255
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862998

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol (CID 170862664) is 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(CCCN2CCN(C)CC2)cc(C(C)C)c1O.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is JQVHPNRKTKGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-15(2)18-13-17(14-19(16(3)4)20(18)23)7-6-8-22-11-9-21(5)10-12-22/h13-16,23H,6-12H2,1-5H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol?
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 318.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 170862664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).