tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate

C15H29NO2 — CID 58304329

IUPACtert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate
SMILESCC(C)N1CCC(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)16-10-8-13(9-11-16)6-7-14(17)18-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyFKUPNJMQSHHJQS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate

tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate (PubChem CID 58304329) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate
PubChem CID58304329
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate
SMILESCC(C)N1CCC(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)16-10-8-13(9-11-16)6-7-14(17)18-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyFKUPNJMQSHHJQS-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate?
The IUPAC name of tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate (CID 58304329) is tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate?
The canonical SMILES for tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate is CC(C)N1CCC(CCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate?
The InChIKey is FKUPNJMQSHHJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)16-10-8-13(9-11-16)6-7-14(17)18-15(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate?
tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-propan-2-ylpiperidin-4-yl)propanoate is sourced from PubChem (CID 58304329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).