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

C17H25ClN2O2 — CID 86276713

IUPACtert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-9-7-17(19,8-10-20)12-13-5-4-6-14(18)11-13/h4-6,11H,7-10,12,19H2,1-3H3
InChIKeyGICZWCGAMHUJMD-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.61
Rot. Bonds2

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

tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate (PubChem CID 86276713) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
PubChem CID86276713
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Nametert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-9-7-17(19,8-10-20)12-13-5-4-6-14(18)11-13/h4-6,11H,7-10,12,19H2,1-3H3
InChIKeyGICZWCGAMHUJMD-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 4-O-ethyl 4-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxylate
CID 171699825
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706
tert-butyl 3-amino-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 162422818
tert-butyl 4-[N'-[(3-chlorophenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111024238
tert-butyl 4-[[(3-chlorophenyl)methylamino]methyl]-4-ethylpiperidine-1-carboxylate
CID 114280549
tert-butyl 4-amino-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 86276711
tert-butyl 4-(aminomethyl)-4-[(3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 86277812
tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 83694151
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl 2-(3-chlorophenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155882874
tert-butyl 4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 134497156
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate (CID 86276713) is tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate?
The InChIKey is GICZWCGAMHUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-9-7-17(19,8-10-20)12-13-5-4-6-14(18)11-13/h4-6,11H,7-10,12,19H2,1-3H3.
What are the key properties of tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate has a molecular weight of 324.85 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86276713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).