tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate

C18H27ClN2O2 — CID 11660113

IUPACtert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13/h4-6,11,14,16H,7-10,12,20H2,1-3H3
InChIKeyFWINVMDFHMGSQB-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.86
Rot. Bonds3

About tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 11660113) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID11660113
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nametert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13/h4-6,11,14,16H,7-10,12,20H2,1-3H3
InChIKeyFWINVMDFHMGSQB-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate (CID 11660113) is tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is FWINVMDFHMGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13/h4-6,11,14,16H,7-10,12,20H2,1-3H3.
What are the key properties of tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 338.88 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11660113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).