ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate

C16H25N3O2 — CID 79245074

IUPACethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCNc1ccnc(CN2CCC(C(=O)OCC)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-14-5-8-18-15(11-14)12-19-9-6-13(7-10-19)16(20)21-4-2/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,17,18)
InChIKeyLCVVISQDHBYMSA-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.29
Rot. Bonds6

About ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate

ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 79245074) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID79245074
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCNc1ccnc(CN2CCC(C(=O)OCC)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-3-17-14-5-8-18-15(11-14)12-19-9-6-13(7-10-19)16(20)21-4-2/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,17,18)
InChIKeyLCVVISQDHBYMSA-UHFFFAOYSA-N
XLogP2.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-methylpiperidine-4-carboxamide
CID 79245258
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79245399
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467
N-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79251269
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
[2-[(3-methoxypyrrolidin-1-yl)methyl]-4-pyridinyl]hydrazine
CID 103538732
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
CID 79251280
1-[[4-(ethylamino)-2-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 79245243
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate (CID 79245074) is ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate is CCNc1ccnc(CN2CCC(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is LCVVISQDHBYMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-14-5-8-18-15(11-14)12-19-9-6-13(7-10-19)16(20)21-4-2/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate?
ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).