2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate

C19H31NO3 — CID 155075733

IUPAC2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate
SMILESCC(C)(OC(=O)C1C2CC3CC(C2)C(O)C1C3)C1CCNCC1
InChIInChI=1S/C19H31NO3/c1-19(2,14-3-5-20-6-4-14)23-18(22)16-12-7-11-8-13(10-12)17(21)15(16)9-11/h11-17,20-21H,3-10H2,1-2H3
InChIKeyFZFJJOBZOWJQFV-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.35
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate

2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate (PubChem CID 155075733) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate
PubChem CID155075733
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate
SMILESCC(C)(OC(=O)C1C2CC3CC(C2)C(O)C1C3)C1CCNCC1
InChIInChI=1S/C19H31NO3/c1-19(2,14-3-5-20-6-4-14)23-18(22)16-12-7-11-8-13(10-12)17(21)15(16)9-11/h11-17,20-21H,3-10H2,1-2H3
InChIKeyFZFJJOBZOWJQFV-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate (CID 155075733) is 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate is CC(C)(OC(=O)C1C2CC3CC(C2)C(O)C1C3)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate?
The InChIKey is FZFJJOBZOWJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-19(2,14-3-5-20-6-4-14)23-18(22)16-12-7-11-8-13(10-12)17(21)15(16)9-11/h11-17,20-21H,3-10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate has a molecular weight of 321.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 4-hydroxyadamantane-2-carboxylate is sourced from PubChem (CID 155075733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).