ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate

C15H22N2O3 — CID 68628868

IUPACethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N)C(OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)17-9-8-13(16)14(10-17)20-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3
InChIKeyNQDYALCJPHXNNB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate

ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 68628868) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID68628868
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N)C(OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)17-9-8-13(16)14(10-17)20-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3
InChIKeyNQDYALCJPHXNNB-UHFFFAOYSA-N
XLogP1.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
benzyl 4-amino-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
CID 72529595
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
3-O-benzyl 7-O-ethyl 3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
CID 57155187
benzyl 3-(2-ethoxy-2-oxoethoxy)pyrrolidine-1-carboxylate
CID 175933691
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 58066140
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate (CID 68628868) is ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(N)C(OCc2ccccc2)C1.
What is the InChIKey of ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is NQDYALCJPHXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-15(18)17-9-8-13(16)14(10-17)20-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3.
What are the key properties of ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate?
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 68628868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).