(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate

C19H29NO2 — CID 170530264

IUPAC(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
SMILESC=C(C)C1(OC(=O)N2CCCCC2)CC2C3CCC(C3)C2C1
InChIInChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-8-4-3-5-9-20)11-16-14-6-7-15(10-14)17(16)12-19/h14-17H,1,3-12H2,2H3
InChIKeyZXOZWIDGLJJHRO-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.38
Rot. Bonds2

About (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate

(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate (PubChem CID 170530264) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
PubChem CID170530264
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
SMILESC=C(C)C1(OC(=O)N2CCCCC2)CC2C3CCC(C3)C2C1
InChIInChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-8-4-3-5-9-20)11-16-14-6-7-15(10-14)17(16)12-19/h14-17H,1,3-12H2,2H3
InChIKeyZXOZWIDGLJJHRO-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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Related Compounds

(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530064
2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
CID 170530183
(1-acetylcyclopropyl) azetidine-1-carboxylate
CID 126560673
(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
CID 22898232
fluoromethyl piperidine-1-carboxylate
CID 141168732
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
ethyl azacycloundecane-1-carboxylate
CID 67670496
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740
(2-methyl-2-tetracyclo[3.3.1.01,5.03,7]nonanyl) piperidine-1-carboxylate
CID 147673547
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
CID 170530088
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790

Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate?
The IUPAC name of (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate (CID 170530264) is (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate?
The canonical SMILES for (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate is C=C(C)C1(OC(=O)N2CCCCC2)CC2C3CCC(C3)C2C1.
What is the InChIKey of (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate?
The InChIKey is ZXOZWIDGLJJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13(2)19(22-18(21)20-8-4-3-5-9-20)11-16-14-6-7-15(10-14)17(16)12-19/h14-17H,1,3-12H2,2H3.
What are the key properties of (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate?
(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) 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 (4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).