2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate

C19H31NO3 — CID 155075732

IUPAC2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate
SMILESCC(C)(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1CCNCC1
InChIInChI=1S/C19H31NO3/c1-17(2,15-3-5-20-6-4-15)23-16(21)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h13-15,20,22H,3-12H2,1-2H3
InChIKeyGNDSXDXKWWELFU-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.64
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate

2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate (PubChem CID 155075732) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate
PubChem CID155075732
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate
SMILESCC(C)(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1CCNCC1
InChIInChI=1S/C19H31NO3/c1-17(2,15-3-5-20-6-4-15)23-16(21)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h13-15,20,22H,3-12H2,1-2H3
InChIKeyGNDSXDXKWWELFU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate (CID 155075732) is 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate is CC(C)(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate?
The InChIKey is GNDSXDXKWWELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-17(2,15-3-5-20-6-4-15)23-16(21)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h13-15,20,22H,3-12H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 3-hydroxyadamantane-1-carboxylate has a molecular weight of 321.46 g/mol, XLogP of 2.64, 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 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 155075732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).