tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate

C14H28N2O3 — CID 90021748

IUPACtert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
SMILESCCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-8-15-11-14(18)6-9-16(10-7-14)12(17)19-13(2,3)4/h15,18H,5-11H2,1-4H3
InChIKeyOLEYIRBWDFHMEL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.75
Rot. Bonds4

About tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate (PubChem CID 90021748) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
PubChem CID90021748
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
SMILESCCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-8-15-11-14(18)6-9-16(10-7-14)12(17)19-13(2,3)4/h15,18H,5-11H2,1-4H3
InChIKeyOLEYIRBWDFHMEL-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(4-aminobutylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847200
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-hydroxy-4-[(morpholin-4-ylamino)methyl]piperidine-1-carboxylate
CID 126847247
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 126847305
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate (CID 90021748) is tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate is CCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate?
The InChIKey is OLEYIRBWDFHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-8-15-11-14(18)6-9-16(10-7-14)12(17)19-13(2,3)4/h15,18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 90021748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).