tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate

C17H24Cl2N2O2 — CID 107241465

IUPACtert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-8-4-5-14(11-21)20-10-12-6-7-13(18)9-15(12)19/h6-7,9,14,20H,4-5,8,10-11H2,1-3H3
InChIKeyHTKXJTUIBOLUQZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate

tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate (PubChem CID 107241465) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
PubChem CID107241465
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Nametert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-8-4-5-14(11-21)20-10-12-6-7-13(18)9-15(12)19/h6-7,9,14,20H,4-5,8,10-11H2,1-3H3
InChIKeyHTKXJTUIBOLUQZ-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(2,4-dichlorophenyl)methylamino]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 3-[(3,4-dibromophenyl)methylamino]piperidine-1-carboxylate
CID 107241473
tert-butyl (3R)-3-[(2,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167074
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
tert-butyl 3-(4-chloro-2-iodoanilino)piperidine-1-carboxylate
CID 107632499
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 71630557
tert-butyl 3-[(5-bromo-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 138621940
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]piperidine-1-carboxylate
CID 53256485
tert-butyl (3S)-3-(1H-pyrrol-3-ylmethylamino)piperidine-1-carboxylate
CID 75434853
tert-butyl 3-[(2-bromo-4-pyridinyl)methylamino]piperidine-1-carboxylate
CID 71630849
tert-butyl (3R)-3-[(2-bromo-4-pyridinyl)methylamino]piperidine-1-carboxylate
CID 71630666
tert-butyl 3-[(2-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 63302872
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate (CID 107241465) is tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is HTKXJTUIBOLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-8-4-5-14(11-21)20-10-12-6-7-13(18)9-15(12)19/h6-7,9,14,20H,4-5,8,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate?
tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 359.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 107241465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).