tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate

C15H30N2O3 — CID 107267903

IUPACtert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
SMILESCC(O)CCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(18)6-5-9-16-13-7-10-17(11-8-13)14(19)20-15(2,3)4/h12-13,16,18H,5-11H2,1-4H3
InChIKeyFKWXXDFSORTDGX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.14
Rot. Bonds5

About tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate (PubChem CID 107267903) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
PubChem CID107267903
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
SMILESCC(O)CCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(18)6-5-9-16-13-7-10-17(11-8-13)14(19)20-15(2,3)4/h12-13,16,18H,5-11H2,1-4H3
InChIKeyFKWXXDFSORTDGX-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-hydroxypentylamino)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 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
tert-butyl (3R)-3-(3-cyclohexyloxypropylamino)pyrrolidine-1-carboxylate
CID 97236036

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate (CID 107267903) is tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate is CC(O)CCCNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate?
The InChIKey is FKWXXDFSORTDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(18)6-5-9-16-13-7-10-17(11-8-13)14(19)20-15(2,3)4/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107267903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).