(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate

C19H29NO2 — CID 170530064

IUPAC(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
SMILESC=C(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h14-17H,1,3-12H2,2H3
InChIKeyPQGDNCAZLOMZFR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.38
Rot. Bonds2

About (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate

(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate (PubChem CID 170530064) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
PubChem CID170530064
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
SMILESC=C(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h14-17H,1,3-12H2,2H3
InChIKeyPQGDNCAZLOMZFR-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate?
The IUPAC name of (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate (CID 170530064) is (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate?
The canonical SMILES for (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate is C=C(C)C1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate?
The InChIKey is PQGDNCAZLOMZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-6-4-3-5-7-20)16-9-14-8-15(11-16)12-17(19)10-14/h14-17H,1,3-12H2,2H3.
What are the key properties of (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate?
(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).