tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate

C18H26N2O2 — CID 66673725

IUPACtert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=Cc2ccncc2)CC1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h4-5,7-8,11-12,16H,6,9-10,13-14H2,1-3H3
InChIKeyMKQDXBSBSUNXQW-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate

tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate (PubChem CID 66673725) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
PubChem CID66673725
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=Cc2ccncc2)CC1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h4-5,7-8,11-12,16H,6,9-10,13-14H2,1-3H3
InChIKeyMKQDXBSBSUNXQW-UHFFFAOYSA-N
XLogP4.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 68715497
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 4-[dideuterio(pyridin-4-ylmethoxy)methyl]piperidine-1-carboxylate
CID 170943001
tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
CID 142635325
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67217796
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate (CID 66673725) is tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC=Cc2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate?
The InChIKey is MKQDXBSBSUNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h4-5,7-8,11-12,16H,6,9-10,13-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate?
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 66673725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).