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

C16H25N3O2 — CID 170891147

IUPACethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(C)N)cn2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-21-16(20)14-6-8-19(9-7-14)15-5-4-13(11-18-15)10-12(2)17/h4-5,11-12,14H,3,6-10,17H2,1-2H3
InChIKeySNXBIPVRWXPQSU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds5

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

ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 170891147) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID170891147
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(C)N)cn2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-21-16(20)14-6-8-19(9-7-14)15-5-4-13(11-18-15)10-12(2)17/h4-5,11-12,14H,3,6-10,17H2,1-2H3
InChIKeySNXBIPVRWXPQSU-UHFFFAOYSA-N
XLogP1.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559
1-[6-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 113419282
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
CID 80635204
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
1-[6-(3,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80635207

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate (CID 170891147) is ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CC(C)N)cn2)CC1.
What is the InChIKey of ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is SNXBIPVRWXPQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-21-16(20)14-6-8-19(9-7-14)15-5-4-13(11-18-15)10-12(2)17/h4-5,11-12,14H,3,6-10,17H2,1-2H3.
What are the key properties of ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 170891147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).