tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate

C18H35NO3 — CID 18423454

IUPACtert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate
SMILESCCCC(O)(CCC)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35NO3/c1-6-10-18(21,11-7-2)14-15-8-12-19(13-9-15)16(20)22-17(3,4)5/h15,21H,6-14H2,1-5H3
InChIKeyBKRUTGQVDCSFDX-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.35
Rot. Bonds6

About tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate (PubChem CID 18423454) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate
PubChem CID18423454
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Nametert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate
SMILESCCCC(O)(CCC)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35NO3/c1-6-10-18(21,11-7-2)14-15-8-12-19(13-9-15)16(20)22-17(3,4)5/h15,21H,6-14H2,1-5H3
InChIKeyBKRUTGQVDCSFDX-UHFFFAOYSA-N
XLogP4.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate (CID 18423454) is tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate is CCCC(O)(CCC)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate?
The InChIKey is BKRUTGQVDCSFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-6-10-18(21,11-7-2)14-15-8-12-19(13-9-15)16(20)22-17(3,4)5/h15,21H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate has a molecular weight of 313.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate is sourced from PubChem (CID 18423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).