ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate

C17H27N3O2 — CID 170888915

IUPACethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(N)CC)cn2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-15(18)11-13-5-6-16(19-12-13)20-9-7-14(8-10-20)17(21)22-4-2/h5-6,12,14-15H,3-4,7-11,18H2,1-2H3
InChIKeyMCZDUNQFKPJUDD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.14
Rot. Bonds6

About ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate

ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 170888915) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID170888915
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nameethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(N)CC)cn2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-15(18)11-13-5-6-16(19-12-13)20-9-7-14(8-10-20)17(21)22-4-2/h5-6,12,14-15H,3-4,7-11,18H2,1-2H3
InChIKeyMCZDUNQFKPJUDD-UHFFFAOYSA-N
XLogP2.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate (CID 170888915) is ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CC(N)CC)cn2)CC1.
What is the InChIKey of ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is MCZDUNQFKPJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-15(18)11-13-5-6-16(19-12-13)20-9-7-14(8-10-20)17(21)22-4-2/h5-6,12,14-15H,3-4,7-11,18H2,1-2H3.
What are the key properties of ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 170888915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).