2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate

C19H35NO2 — CID 155075436

IUPAC2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)22-19(4,5)16-10-12-20-13-11-16/h14-16,20H,6-13H2,1-5H3
InChIKeyUQFAWXPXVZFABA-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.16
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate

2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 155075436) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate
PubChem CID155075436
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)22-19(4,5)16-10-12-20-13-11-16/h14-16,20H,6-13H2,1-5H3
InChIKeyUQFAWXPXVZFABA-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate (CID 155075436) is 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate is CC(C)(C)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is UQFAWXPXVZFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)22-19(4,5)16-10-12-20-13-11-16/h14-16,20H,6-13H2,1-5H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 309.49 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 155075436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).