1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine

C18H30N2O — CID 82263845

IUPAC1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1ccc(CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-7-6-15(12-16(17)18(3,4)5)13-20-10-8-19-9-11-20/h6-7,12,14,19H,8-11,13H2,1-5H3
InChIKeyVMPPOOPEPCABNV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds4

About 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine

1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine (PubChem CID 82263845) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
PubChem CID82263845
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1ccc(CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-7-6-15(12-16(17)18(3,4)5)13-20-10-8-19-9-11-20/h6-7,12,14,19H,8-11,13H2,1-5H3
InChIKeyVMPPOOPEPCABNV-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
CID 82263840
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 143935232
1-[[4-[4-[2-(1-fluoroethyl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 123186700
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
1-tert-butyl-4-[(4-chloro-3-propan-2-yloxyphenyl)methyl]piperazine
CID 163406015

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine (CID 82263845) is 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine is CC(C)Oc1ccc(CN2CCNCC2)cc1C(C)(C)C.
What is the InChIKey of 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine?
The InChIKey is VMPPOOPEPCABNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)21-17-7-6-15(12-16(17)18(3,4)5)13-20-10-8-19-9-11-20/h6-7,12,14,19H,8-11,13H2,1-5H3.
What are the key properties of 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine?
1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine is sourced from PubChem (CID 82263845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).