2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine

C30H53N3O — CID 58767823

IUPAC2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine
SMILESCCCCN1CCN(c2cc(OCCN(CC)CC)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H53N3O/c1-7-10-17-32-18-20-33(21-19-32)29-24-27(34-23-22-31(8-2)9-3)15-16-28(29)25-11-13-26(14-12-25)30(4,5)6/h15-16,24-26H,7-14,17-23H2,1-6H3
InChIKeyJXBKDBHQZBKQSY-UHFFFAOYSA-N
MW471.77 g/mol
LogP6.65
Rot. Bonds11

About 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine

2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine (PubChem CID 58767823) has the molecular formula C30H53N3O and a molecular weight of 471.77 g/mol. Its IUPAC name is 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine
PubChem CID58767823
Molecular FormulaC30H53N3O
Molecular Weight471.77 g/mol
Exact Mass471.42
IUPAC Name2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine
SMILESCCCCN1CCN(c2cc(OCCN(CC)CC)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H53N3O/c1-7-10-17-32-18-20-33(21-19-32)29-24-27(34-23-22-31(8-2)9-3)15-16-28(29)25-11-13-26(14-12-25)30(4,5)6/h15-16,24-26H,7-14,17-23H2,1-6H3
InChIKeyJXBKDBHQZBKQSY-UHFFFAOYSA-N
XLogP6.65
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]acetic acid
CID 23141663
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide
CID 58767707
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
methyl 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoate
CID 58767708
methyl 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]acetate;hydrochloride
CID 69219040
[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
CID 23141912
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
CID 23142601
1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818
N-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-N-methyloxan-4-amine
CID 58767780
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine;hydrochloride
CID 23142600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine (CID 58767823) is 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine is CCCCN1CCN(c2cc(OCCN(CC)CC)ccc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine?
The InChIKey is JXBKDBHQZBKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53N3O/c1-7-10-17-32-18-20-33(21-19-32)29-24-27(34-23-22-31(8-2)9-3)15-16-28(29)25-11-13-26(14-12-25)30(4,5)6/h15-16,24-26H,7-14,17-23H2,1-6H3.
What are the key properties of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine?
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine has a molecular weight of 471.77 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 58767823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).