1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine

C28H48N2 — CID 23142503

IUPAC1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
SMILESCCCCN1CCN(c2cc(C(C)(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H48N2/c1-8-9-16-29-17-19-30(20-18-29)26-21-24(28(5,6)7)14-15-25(26)22-10-12-23(13-11-22)27(2,3)4/h14-15,21-23H,8-13,16-20H2,1-7H3
InChIKeyUZRUZCRSGZDVJQ-UHFFFAOYSA-N
MW412.71 g/mol
LogP7.23
Rot. Bonds5

About 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine

1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine (PubChem CID 23142503) has the molecular formula C28H48N2 and a molecular weight of 412.71 g/mol. Its IUPAC name is 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
PubChem CID23142503
Molecular FormulaC28H48N2
Molecular Weight412.71 g/mol
Exact Mass412.38
IUPAC Name1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
SMILESCCCCN1CCN(c2cc(C(C)(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H48N2/c1-8-9-16-29-17-19-30(20-18-29)26-21-24(28(5,6)7)14-15-25(26)22-10-12-23(13-11-22)27(2,3)4/h14-15,21-23H,8-13,16-20H2,1-7H3
InChIKeyUZRUZCRSGZDVJQ-UHFFFAOYSA-N
XLogP7.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-diethylethanamine
CID 58767823
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
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide
CID 58767707
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719
1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
CID 23142601
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 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine?
The IUPAC name of 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine (CID 23142503) is 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine.
What is the SMILES notation for 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine?
The canonical SMILES for 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine is CCCCN1CCN(c2cc(C(C)(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine?
The InChIKey is UZRUZCRSGZDVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2/c1-8-9-16-29-17-19-30(20-18-29)26-21-24(28(5,6)7)14-15-25(26)22-10-12-23(13-11-22)27(2,3)4/h14-15,21-23H,8-13,16-20H2,1-7H3.
What are the key properties of 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine?
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine has a molecular weight of 412.71 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine is sourced from PubChem (CID 23142503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).