tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate

C18H29N3O3 — CID 142621549

IUPACtert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1cc(N)ccc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-17(22)20(4)14-8-10-21(11-9-14)15-7-6-13(19)12-16(15)23-5/h6-7,12,14H,8-11,19H2,1-5H3
InChIKeyOLXJRJPIOHMRHD-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 142621549) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID142621549
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1cc(N)ccc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-17(22)20(4)14-8-10-21(11-9-14)15-7-6-13(19)12-16(15)23-5/h6-7,12,14H,8-11,19H2,1-5H3
InChIKeyOLXJRJPIOHMRHD-UHFFFAOYSA-N
XLogP3.11
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3-amino-4-methoxybenzoyl)piperidin-4-yl]-N-methylcarbamate
CID 171933094
tert-butyl 4-[[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 162754299
tert-butyl 4-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171474596
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-4-methylpiperidin-4-yl]carbamate
CID 142621565
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
tert-butyl N-[1-(2-cyano-4-formylphenyl)piperidin-4-yl]-N-methylcarbamate
CID 170906742
tert-butyl N-[1-(4-amino-2-cyanophenyl)piperidin-4-yl]-N-(2-methoxyethyl)carbamate
CID 22228155
tert-butyl N-[1-(4-amino-2-chloro-3-fluorophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 154070224
(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717
tert-butyl N-[7-(4-amino-2-ethyl-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]-N-methylcarbamate
CID 167273532
tert-butyl N-[1-[2,6-bis(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate
CID 103595911
1-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 82533865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate (CID 142621549) is tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate is COc1cc(N)ccc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is OLXJRJPIOHMRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)24-17(22)20(4)14-8-10-21(11-9-14)15-7-6-13(19)12-16(15)23-5/h6-7,12,14H,8-11,19H2,1-5H3.
What are the key properties of tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 335.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 142621549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).