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

C15H29N3O2 — CID 23849824

IUPACethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCCCN1CCC(N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-7-16-8-5-14(6-9-16)17-10-12-18(13-11-17)15(19)20-4-2/h14H,3-13H2,1-2H3
InChIKeyBGXUFIKTERNZCJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.63
Rot. Bonds4

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

ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 23849824) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID23849824
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCCCN1CCC(N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-7-16-8-5-14(6-9-16)17-10-12-18(13-11-17)15(19)20-4-2/h14H,3-13H2,1-2H3
InChIKeyBGXUFIKTERNZCJ-UHFFFAOYSA-N
XLogP1.63
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate (CID 23849824) is ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate is CCCN1CCC(N2CCN(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is BGXUFIKTERNZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-7-16-8-5-14(6-9-16)17-10-12-18(13-11-17)15(19)20-4-2/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-propylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 23849824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).