ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate

C16H30N2O2 — CID 2846626

IUPACethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCCCN1CCC(N2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-9-17-10-7-15(8-11-17)18-12-5-14(6-13-18)16(19)20-4-2/h14-15H,3-13H2,1-2H3
InChIKeyMNDYVNNJMFCYCC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds5

About ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate

ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate (PubChem CID 2846626) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate
PubChem CID2846626
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCCCN1CCC(N2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-9-17-10-7-15(8-11-17)18-12-5-14(6-13-18)16(19)20-4-2/h14-15H,3-13H2,1-2H3
InChIKeyMNDYVNNJMFCYCC-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
1'-Methyl(1,4'-bipiperidine)-4-carboxylic acid
CID 2761156
Ethyl (1,4'-bipiperidine)-4-carboxylate dihydrochloride
CID 75531201
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801
Ethyl 1-propyl-piperidine-4-carboxylate
CID 21202791
4-Fluoro-1-(tetrahydro-pyran-4-yl)-piperidine-4-carboxylic acid ethyl ester
CID 59508129
Ethyl 4-fluoro-1-(oxan-4-ylmethyl)piperidine-4-carboxylate
CID 68317525
Ethyl 2-fluoro-1-(oxan-4-yl)piperidine-4-carboxylate
CID 153838520
2-Methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
CID 172590623
Ethyl 1'-ethyl-1,4'-bipiperidine-4-carboxylate
CID 784282
Methyl 1-(4,4,4-trifluoro-3-morpholin-4-ylbutyl)piperidine-4-carboxylate
CID 138050328
Ethyl 1-[6-(dimethylamino)-5-fluorohexyl]piperidine-4-carboxylate
CID 142152002

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate (CID 2846626) is ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate is CCCN1CCC(N2CCC(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate?
The InChIKey is MNDYVNNJMFCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-9-17-10-7-15(8-11-17)18-12-5-14(6-13-18)16(19)20-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-propylpiperidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2846626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).