tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate

C19H26ClNO3 — CID 69481035

IUPACtert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate
SMILESCC=C(OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClNO3/c1-5-17(14-6-8-15(20)9-7-14)23-16-10-12-21(13-11-16)18(22)24-19(2,3)4/h5-9,16H,10-13H2,1-4H3
InChIKeyRYFFQQITENCMNG-UHFFFAOYSA-N
MW351.87 g/mol
LogP5.12
Rot. Bonds3

About tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate

tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate (PubChem CID 69481035) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate
PubChem CID69481035
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Nametert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate
SMILESCC=C(OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClNO3/c1-5-17(14-6-8-15(20)9-7-14)23-16-10-12-21(13-11-16)18(22)24-19(2,3)4/h5-9,16H,10-13H2,1-4H3
InChIKeyRYFFQQITENCMNG-UHFFFAOYSA-N
XLogP5.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.87
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[Bis(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 24874575
4-[Bis(4-chlorophenyl)methoxy]-1-butylpiperidine
CID 44404584
4-[(4-Chlorophenyl)(phenyl)methoxy]-1-methylpiperidine
CID 44404634
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
Ethyl 4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-1-piperazinecarboxylate hydrochloride
CID 2770585
N-Carboxy-1-[4-chlorophenyl]-2-[4-piperidyl]-1,2-epoxypropane
CID 558077
4-Morpholinecarboxylic acid, 2-(2-(4-chlorophenyl)-4-morpholinyl)ethyl ester, monohydrochloride
CID 3075560
1-Piperidinecarboxylic acid, 2-(2-(4-chlorophenyl)-4-morpholinyl)ethyl ester, monohydrochloride
CID 3075562
1-(4-Chlorophenyl)-3-(dimethylamino)propyl hydrogen carbonimidate
CID 13103190
Ethyl 4-{3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl}piperazine-1-carboxylate
CID 2770586
Ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 90117
Ethyl 4-(4-(((4-chlorobenzyl)oxy)methyl)piperidin-1-yl)-4-oxobutanoate
CID 71784929

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate (CID 69481035) is tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate is CC=C(OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate?
The InChIKey is RYFFQQITENCMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-5-17(14-6-8-15(20)9-7-14)23-16-10-12-21(13-11-16)18(22)24-19(2,3)4/h5-9,16H,10-13H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate has a molecular weight of 351.87 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate is sourced from PubChem (CID 69481035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).