tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate

C17H25NO3 — CID 126677410

IUPACtert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-8-13(9-11-18)14-6-5-7-15(12-14)20-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyARQSJSOLGLLPKM-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate (PubChem CID 126677410) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate
PubChem CID126677410
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-8-13(9-11-18)14-6-5-7-15(12-14)20-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyARQSJSOLGLLPKM-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
(S)-3-(3-Methoxy-phenyl)-1-propyl-piperidine
CID 12937927
4-(3-Methoxyphenyl)piperidine hydrochloride
CID 45073801
3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N-ethyl-N-methylcarbamate
CID 10859886
3-[(2R)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid
CID 10915860
3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N-dimethylcarbamate
CID 11055573
3-[2-(dimethylamino)ethyl]phenyl N,N-dimethylcarbamate
CID 11097701
3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-ethyl-N-methylcarbamate
CID 11120913
3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid
CID 11188132
3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid
CID 11731635
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
3-Methylphenyl morpholine-4-carboxylate
CID 728837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate (CID 126677410) is tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate is COc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate?
The InChIKey is ARQSJSOLGLLPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-8-13(9-11-18)14-6-5-7-15(12-14)20-4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 126677410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).