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

C19H35NO2 — CID 155075658

IUPAC2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-15-7-9-16(10-8-15)18(21)22-19(2,3)17-11-13-20-14-12-17/h15-17,20H,4-14H2,1-3H3
InChIKeyYYQJFHIDPKWLDV-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.30
Rot. Bonds6

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

2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate (PubChem CID 155075658) 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-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate
PubChem CID155075658
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-15-7-9-16(10-8-15)18(21)22-19(2,3)17-11-13-20-14-12-17/h15-17,20H,4-14H2,1-3H3
InChIKeyYYQJFHIDPKWLDV-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.30
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-butylcyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate (CID 155075658) is 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate?
The InChIKey is YYQJFHIDPKWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-4-5-6-15-7-9-16(10-8-15)18(21)22-19(2,3)17-11-13-20-14-12-17/h15-17,20H,4-14H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-butylcyclohexane-1-carboxylate has a molecular weight of 309.49 g/mol, XLogP of 4.30, 6 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-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 155075658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).