tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate

C20H38N2O4 — CID 167528440

IUPACtert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CC(OCCOC2CCC(N)CC2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O4/c1-14-12-18(13-15(2)22(14)19(23)26-20(3,4)5)25-11-10-24-17-8-6-16(21)7-9-17/h14-18H,6-13,21H2,1-5H3
InChIKeyCRVRHQQHYMTJLP-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate

tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 167528440) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate
PubChem CID167528440
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Nametert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CC(OCCOC2CCC(N)CC2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O4/c1-14-12-18(13-15(2)22(14)19(23)26-20(3,4)5)25-11-10-24-17-8-6-16(21)7-9-17/h14-18H,6-13,21H2,1-5H3
InChIKeyCRVRHQQHYMTJLP-UHFFFAOYSA-N
XLogP3.47
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate
CID 162510275
4-[3-(4-aminocyclohexyl)propoxy]-2,6-dimethylpiperidine-1-carboxylic acid
CID 169082018
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (5R)-3-(cyclobutylmethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 144719684
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate;trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
CID 158199472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate (CID 167528440) is tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate is CC1CC(OCCOC2CCC(N)CC2)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is CRVRHQQHYMTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-14-12-18(13-15(2)22(14)19(23)26-20(3,4)5)25-11-10-24-17-8-6-16(21)7-9-17/h14-18H,6-13,21H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 370.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 167528440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).