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

C17H28N2O — CID 82979763

IUPAC4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
SMILESCC(C)CN1CCN(C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)13-18-8-10-19(11-9-18)15(3)12-16-4-6-17(20)7-5-16/h4-7,14-15,20H,8-13H2,1-3H3
InChIKeyQJTNGVHGYBDMHJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.60
Rot. Bonds5

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

4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol (PubChem CID 82979763) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
PubChem CID82979763
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
SMILESCC(C)CN1CCN(C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)13-18-8-10-19(11-9-18)15(3)12-16-4-6-17(20)7-5-16/h4-7,14-15,20H,8-13H2,1-3H3
InChIKeyQJTNGVHGYBDMHJ-UHFFFAOYSA-N
XLogP2.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]phenol
CID 82979541
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
CID 107721087
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol (CID 82979763) is 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol is CC(C)CN1CCN(C(C)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol?
The InChIKey is QJTNGVHGYBDMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)13-18-8-10-19(11-9-18)15(3)12-16-4-6-17(20)7-5-16/h4-7,14-15,20H,8-13H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol?
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol is sourced from PubChem (CID 82979763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).