tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate

C20H33N3O3 — CID 58006150

IUPACtert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
SMILESCOc1cccc(N(C)C)c1CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-15-10-12-23(13-11-15)14-16-17(22(4)5)8-7-9-18(16)25-6/h7-9,15H,10-14H2,1-6H3,(H,21,24)
InChIKeyZHZYIFHUZNJVMK-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.25
Rot. Bonds5

About tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate (PubChem CID 58006150) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
PubChem CID58006150
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
SMILESCOc1cccc(N(C)C)c1CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-15-10-12-23(13-11-15)14-16-17(22(4)5)8-7-9-18(16)25-6/h7-9,15H,10-14H2,1-6H3,(H,21,24)
InChIKeyZHZYIFHUZNJVMK-UHFFFAOYSA-N
XLogP3.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 68952873
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
CID 58006279
methyl 3-bromo-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]benzoate
CID 172876083
[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
CID 68953183
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
CID 158787705
tert-butyl N-[1-[(5-fluorothiophen-2-yl)methyl]piperidin-4-yl]carbamate
CID 50896527
tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
CID 70197899
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate (CID 58006150) is tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate is COc1cccc(N(C)C)c1CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate?
The InChIKey is ZHZYIFHUZNJVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-15-10-12-23(13-11-15)14-16-17(22(4)5)8-7-9-18(16)25-6/h7-9,15H,10-14H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate has a molecular weight of 363.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 58006150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).