tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate

C24H32N2O4 — CID 171985225

IUPACtert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-24(2,3)30-23(27)26-16-14-25(15-17-26)22(18-6-10-20(28-4)11-7-18)19-8-12-21(29-5)13-9-19/h6-13,22H,14-17H2,1-5H3
InChIKeyCVNVAVZEULTZPX-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.35
Rot. Bonds5

About tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate

tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate (PubChem CID 171985225) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
PubChem CID171985225
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Nametert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-24(2,3)30-23(27)26-16-14-25(15-17-26)22(18-6-10-20(28-4)11-7-18)19-8-12-21(29-5)13-9-19/h6-13,22H,14-17H2,1-5H3
InChIKeyCVNVAVZEULTZPX-UHFFFAOYSA-N
XLogP4.35
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
tert-butyl 4-[1,2-bis(4-methoxyphenyl)ethyl]piperazine-1-carboxylate;ethane
CID 143935572
2-(6-methoxynaphthalen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 70916227
tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
CID 51331914
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
(2R)-2-(4-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate
CID 7146133
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
tert-butyl 4-[1-[4-(3-methoxyphenyl)sulfonylphenyl]ethyl]piperazine-1-carboxylate
CID 178027182
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 130404438
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
CID 170603344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate (CID 171985225) is tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate is COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is CVNVAVZEULTZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-24(2,3)30-23(27)26-16-14-25(15-17-26)22(18-6-10-20(28-4)11-7-18)19-8-12-21(29-5)13-9-19/h6-13,22H,14-17H2,1-5H3.
What are the key properties of tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 171985225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).