tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate

C18H27ClN2O2 — CID 75365665

IUPACtert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-12-9-16(10-13-21)20-11-8-14-4-6-15(19)7-5-14/h4-7,16,20H,8-13H2,1-3H3
InChIKeyDQXHQVXRTNGEAY-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate (PubChem CID 75365665) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
PubChem CID75365665
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nametert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-12-9-16(10-13-21)20-11-8-14-4-6-15(19)7-5-14/h4-7,16,20H,8-13H2,1-3H3
InChIKeyDQXHQVXRTNGEAY-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
CID 43767026
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
tert-butyl (4S)-4-[2-(2-hydroxyphenyl)ethylamino]azepane-1-carboxylate
CID 99853627
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
CID 127548323
tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
CID 63302690
tert-butyl 4-[3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate
CID 127118642
tert-butyl 3-[2-(4-bromophenyl)ethylamino]azetidine-1-carboxylate
CID 57355328
tert-butyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 78903590
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl N-[3-[4-[3-(4-chlorophenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108556545
tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylate
CID 10024835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate (CID 75365665) is tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is DQXHQVXRTNGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)21-12-9-16(10-13-21)20-11-8-14-4-6-15(19)7-5-14/h4-7,16,20H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 338.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 75365665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).