[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate

C24H38N2O3 — CID 145176235

IUPAC[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNC2CC2)CC1.CC/C=C\c1ccccc1
InChIInChI=1S/C14H26N2O3.C10H12/c1-13(2,3)19-12(17)16-8-6-14(18,7-9-16)10-15-11-4-5-11;1-2-3-7-10-8-5-4-6-9-10/h11,15,18H,4-10H2,1-3H3;3-9H,2H2,1H3/b;7-3-
InChIKeyRAUKKQBGKOZGDG-KEAXFFGOSA-N
MW402.58 g/mol
LogP4.61
Rot. Bonds5

About [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate

[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 145176235) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID145176235
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNC2CC2)CC1.CC/C=C\c1ccccc1
InChIInChI=1S/C14H26N2O3.C10H12/c1-13(2,3)19-12(17)16-8-6-14(18,7-9-16)10-15-11-4-5-11;1-2-3-7-10-8-5-4-6-9-10/h11,15,18H,4-10H2,1-3H3;3-9H,2H2,1H3/b;7-3-
InChIKeyRAUKKQBGKOZGDG-KEAXFFGOSA-N
XLogP4.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
CID 70052022
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847179
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258
tert-butyl 4-(benzylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 126847748
tert-butyl 4-fluoro-4-(2-phenylethynyl)piperidine-1-carboxylate
CID 10685859
tert-butyl 4-(2-benzylsulfonylethyl)-4-hydroxypiperidine-1-carboxylate
CID 171480544
tert-butyl 4-(cyanomethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 118290169
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284292
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate (CID 145176235) is [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CNC2CC2)CC1.CC/C=C\c1ccccc1.
What is the InChIKey of [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is RAUKKQBGKOZGDG-KEAXFFGOSA-N. The full InChI is InChI=1S/C14H26N2O3.C10H12/c1-13(2,3)19-12(17)16-8-6-14(18,7-9-16)10-15-11-4-5-11;1-2-3-7-10-8-5-4-6-9-10/h11,15,18H,4-10H2,1-3H3;3-9H,2H2,1H3/b;7-3-.
What are the key properties of [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate?
[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 402.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 145176235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).