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

C14H27NO3 — CID 2784670

IUPACtert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3
InChIKeyGVOGVPFQDCQZNP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.80
Rot. Bonds4

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

tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate (PubChem CID 2784670) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
PubChem CID2784670
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3
InChIKeyGVOGVPFQDCQZNP-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate (CID 2784670) is tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCCO)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The InChIKey is GVOGVPFQDCQZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate is sourced from PubChem (CID 2784670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).