tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate

C19H31N3O2 — CID 57362257

IUPACtert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
SMILESCN1CCN(C[C@H](c2ccccc2)N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(5)17(16-9-7-6-8-10-16)15-22-13-11-20(4)12-14-22/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1
InChIKeyCJRCMJOZAFMBES-QGZVFWFLSA-N
MW333.48 g/mol
LogP2.84
Rot. Bonds4

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

tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate (PubChem CID 57362257) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
PubChem CID57362257
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
SMILESCN1CCN(C[C@H](c2ccccc2)N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(5)17(16-9-7-6-8-10-16)15-22-13-11-20(4)12-14-22/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1
InChIKeyCJRCMJOZAFMBES-QGZVFWFLSA-N
XLogP2.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387
tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337386
2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548
tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
CID 144980444
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
tert-butyl N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-N-methylcarbamate
CID 11433056
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
CID 162410126
CID 162410126
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate (CID 57362257) is tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate is CN1CCN(C[C@H](c2ccccc2)N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate?
The InChIKey is CJRCMJOZAFMBES-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(5)17(16-9-7-6-8-10-16)15-22-13-11-20(4)12-14-22/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate?
tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate is sourced from PubChem (CID 57362257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).