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

C17H25ClN2O2 — CID 146631053

IUPACtert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](N)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-10-4-9-17(19,12-20)11-13-5-7-14(18)8-6-13/h5-8H,4,9-12,19H2,1-3H3/t17-/m0/s1
InChIKeyLZQHRGZMEJGKPL-KRWDZBQOSA-N
MW324.85 g/mol
LogP3.61
Rot. Bonds2

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

tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate (PubChem CID 146631053) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
PubChem CID146631053
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Nametert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](N)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-10-4-9-17(19,12-20)11-13-5-7-14(18)8-6-13/h5-8H,4,9-12,19H2,1-3H3/t17-/m0/s1
InChIKeyLZQHRGZMEJGKPL-KRWDZBQOSA-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

Analyze tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;4-[(4-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride
CID 159190787
tert-butyl (3S)-3-[(3S)-3-amino-4-methoxy-2-oxobutyl]-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 158561994
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3S)-3-(4-chlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 70883065
tert-butyl 4-[(3R)-3-amino-3-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate
CID 146584431
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687
tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
CID 86276713
tert-butyl 3-amino-3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 115048296

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate (CID 146631053) is tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@](N)(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate?
The InChIKey is LZQHRGZMEJGKPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-10-4-9-17(19,12-20)11-13-5-7-14(18)8-6-13/h5-8H,4,9-12,19H2,1-3H3/t17-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-amino-3-[(4-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 (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 146631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).