2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate

C20H37NO2 — CID 155075432

IUPAC2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate
SMILESCCCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C20H37NO2/c1-4-5-6-7-16-8-10-17(11-9-16)19(22)23-20(2,3)18-12-14-21-15-13-18/h16-18,21H,4-15H2,1-3H3
InChIKeyHNMVYGCGFXPDBX-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.69
Rot. Bonds7

About 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate

2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate (PubChem CID 155075432) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate
PubChem CID155075432
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate
SMILESCCCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C20H37NO2/c1-4-5-6-7-16-8-10-17(11-9-16)19(22)23-20(2,3)18-12-14-21-15-13-18/h16-18,21H,4-15H2,1-3H3
InChIKeyHNMVYGCGFXPDBX-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate (CID 155075432) is 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate is CCCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate?
The InChIKey is HNMVYGCGFXPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-4-5-6-7-16-8-10-17(11-9-16)19(22)23-20(2,3)18-12-14-21-15-13-18/h16-18,21H,4-15H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-pentylcyclohexane-1-carboxylate has a molecular weight of 323.52 g/mol, XLogP of 4.69, 7 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-pentylcyclohexane-1-carboxylate is sourced from PubChem (CID 155075432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).