tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate

C17H31NO3 — CID 83207659

IUPACtert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC2CCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-11-9-17(4,10-12-18)20-13-14-7-5-6-8-14/h14H,5-13H2,1-4H3
InChIKeyAWKWZZNBCUSCJH-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate (PubChem CID 83207659) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
PubChem CID83207659
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC2CCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-11-9-17(4,10-12-18)20-13-14-7-5-6-8-14/h14H,5-13H2,1-4H3
InChIKeyAWKWZZNBCUSCJH-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
CID 103916009
tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate
CID 103915940
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
CID 86276705
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate (CID 83207659) is tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(OCC2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate?
The InChIKey is AWKWZZNBCUSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-11-9-17(4,10-12-18)20-13-14-7-5-6-8-14/h14H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83207659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).