ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate

C18H28N2O2 — CID 83993632

IUPACethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(NCc2ccccc2)CC(C(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-4-22-18(21)20-12-16(14(2)3)10-17(13-20)19-11-15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyYONAHMAOUOYJGW-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.28
Rot. Bonds5

About ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate

ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate (PubChem CID 83993632) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
PubChem CID83993632
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(NCc2ccccc2)CC(C(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-4-22-18(21)20-12-16(14(2)3)10-17(13-20)19-11-15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3
InChIKeyYONAHMAOUOYJGW-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate (CID 83993632) is ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate is CCOC(=O)N1CC(NCc2ccccc2)CC(C(C)C)C1.
What is the InChIKey of ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is YONAHMAOUOYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-22-18(21)20-12-16(14(2)3)10-17(13-20)19-11-15-8-6-5-7-9-15/h5-9,14,16-17,19H,4,10-13H2,1-3H3.
What are the key properties of ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate?
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 83993632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).