tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate

C20H33N3O4 — CID 71847965

IUPACtert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate
SMILESCOc1ccc(OCCN2CCN(C)CC2CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H33N3O4/c1-20(2,3)27-19(24)21-14-16-15-22(4)10-11-23(16)12-13-26-18-8-6-17(25-5)7-9-18/h6-9,16H,10-15H2,1-5H3,(H,21,24)
InChIKeyVHJBJKVSFIDRIK-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.21
Rot. Bonds7

About tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate

tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate (PubChem CID 71847965) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate
PubChem CID71847965
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Nametert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate
SMILESCOc1ccc(OCCN2CCN(C)CC2CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H33N3O4/c1-20(2,3)27-19(24)21-14-16-15-22(4)10-11-23(16)12-13-26-18-8-6-17(25-5)7-9-18/h6-9,16H,10-15H2,1-5H3,(H,21,24)
InChIKeyVHJBJKVSFIDRIK-UHFFFAOYSA-N
XLogP2.21
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)-4-methylpiperazin-2-yl]methyl]carbamate
CID 71847654
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
tert-butyl N-[[(2R)-1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methyl]carbamate
CID 98775825
[4-methyl-1-[2-(4-methylphenoxy)ethyl]piperazin-2-yl]methanamine
CID 80506155
tert-butyl N-[[4-methoxy-1-[2-(2-nitrophenoxy)ethyl]piperidin-2-yl]methyl]carbamate
CID 75519418
tert-butyl N-[[(2S)-4-methyl-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperazin-2-yl]methyl]carbamate
CID 96538109
tert-butyl N-[[4-methyl-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperazin-2-yl]methyl]carbamate
CID 71855666
tert-butyl N-[[(2R)-1-[(2S)-2-benzylsulfanylpropanoyl]-4-methylpiperazin-2-yl]methyl]carbamate
CID 98775816
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate (CID 71847965) is tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate is COc1ccc(OCCN2CCN(C)CC2CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate?
The InChIKey is VHJBJKVSFIDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-20(2,3)27-19(24)21-14-16-15-22(4)10-11-23(16)12-13-26-18-8-6-17(25-5)7-9-18/h6-9,16H,10-15H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate has a molecular weight of 379.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperazin-2-yl]methyl]carbamate is sourced from PubChem (CID 71847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).