tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate

C19H30N2O2 — CID 103781191

IUPACtert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
SMILESCc1cccc(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-14-7-6-8-16(13-14)15(2)20-17-9-11-21(12-10-17)18(22)23-19(3,4)5/h6-8,13,15,17,20H,9-12H2,1-5H3
InChIKeySHBYDVNONFPGDV-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate (PubChem CID 103781191) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
PubChem CID103781191
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
SMILESCc1cccc(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-14-7-6-8-16(13-14)15(2)20-17-9-11-21(12-10-17)18(22)23-19(3,4)5/h6-8,13,15,17,20H,9-12H2,1-5H3
InChIKeySHBYDVNONFPGDV-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate (CID 103781191) is tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate is Cc1cccc(C(C)NC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is SHBYDVNONFPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-7-6-8-16(13-14)15(2)20-17-9-11-21(12-10-17)18(22)23-19(3,4)5/h6-8,13,15,17,20H,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103781191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).