4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol

C17H28N2O — CID 82980555

IUPAC4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
SMILESCCC1CN(C(C)CCc2ccc(O)cc2)CCN1C
InChIInChI=1S/C17H28N2O/c1-4-16-13-19(12-11-18(16)3)14(2)5-6-15-7-9-17(20)10-8-15/h7-10,14,16,20H,4-6,11-13H2,1-3H3
InChIKeyPKYMLRCTHPKCJQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.74
Rot. Bonds5

About 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol

4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol (PubChem CID 82980555) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
PubChem CID82980555
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
SMILESCCC1CN(C(C)CCc2ccc(O)cc2)CCN1C
InChIInChI=1S/C17H28N2O/c1-4-16-13-19(12-11-18(16)3)14(2)5-6-15-7-9-17(20)10-8-15/h7-10,14,16,20H,4-6,11-13H2,1-3H3
InChIKeyPKYMLRCTHPKCJQ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
4-[3-(3-ethylmorpholin-4-yl)butyl]phenol
CID 82976699
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
CID 65066557
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150
1-[4-[4-(4-hydroxyphenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 82958265
4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
CID 82965632
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine
CID 63609680
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol?
The IUPAC name of 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol (CID 82980555) is 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol.
What is the SMILES notation for 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol?
The canonical SMILES for 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol is CCC1CN(C(C)CCc2ccc(O)cc2)CCN1C.
What is the InChIKey of 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol?
The InChIKey is PKYMLRCTHPKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16-13-19(12-11-18(16)3)14(2)5-6-15-7-9-17(20)10-8-15/h7-10,14,16,20H,4-6,11-13H2,1-3H3.
What are the key properties of 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol?
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol is sourced from PubChem (CID 82980555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).