tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate

C19H36N2O3 — CID 71160588

IUPACtert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O3/c1-5-23-16-10-8-12-21(14-16)13-15-9-6-7-11-17(15)20-18(22)24-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1
InChIKeyQJFJWQWAWKBAIS-ZACQAIPSSA-N
MW340.51 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate (PubChem CID 71160588) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate
PubChem CID71160588
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O3/c1-5-23-16-10-8-12-21(14-16)13-15-9-6-7-11-17(15)20-18(22)24-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1
InChIKeyQJFJWQWAWKBAIS-ZACQAIPSSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-{1-oxa-4-azaspiro[5.5]undecan-9-yl}carbamate
CID 132343729
Tert-butyl 3-(morpholin-3-yl)piperidine-1-carboxylate
CID 82379221
Tert-butyl 3-(2-(piperidin-3-yloxy)ethyl)piperidine-1-carboxylate
CID 155937637
tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-ylethyl]carbamate
CID 10859933
Tert-butyl 2-[1-[3-(1-hydroxycyclobutyl)propylamino]ethyl]morpholine-4-carboxylate
CID 132322108
Rel-(3R,4R,5S)-tert-butyl 4-amino-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidine-1-carboxylate
CID 154726701
2-fluoroethyl N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]carbamate
CID 167790708
tert-Butyl 1-(cyclohexylmethyl)piperidin-4-ylcarbamate
CID 22182394
t-butyl [(1S)-1-(cyclohexylmethyl)-2-hydroxy-3-piperidinopropyl]carbamate
CID 56982890
tert-butyl 4-((1S,2R)-2-(aminomethyl)cyclohexylamino)piperidine-1-carboxylate
CID 57855329
trans-(+/-)-Tert-butyl{2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl}carbamate
CID 59007397
2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 59007410

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate (CID 71160588) is tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate is CCO[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate?
The InChIKey is QJFJWQWAWKBAIS-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-5-23-16-10-8-12-21(14-16)13-15-9-6-7-11-17(15)20-18(22)24-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate has a molecular weight of 340.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 71160588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).