3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol

C14H30N2O — CID 104840411

IUPAC3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-12(15)13(10-17)16-8-6-11(7-9-16)14(2,3)4/h11-13,17H,5-10,15H2,1-4H3
InChIKeyXTURNVGVQHSXOV-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol

3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol (PubChem CID 104840411) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
PubChem CID104840411
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-12(15)13(10-17)16-8-6-11(7-9-16)14(2,3)4/h11-13,17H,5-10,15H2,1-4H3
InChIKeyXTURNVGVQHSXOV-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol (CID 104840411) is 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol is CCC(N)C(CO)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol?
The InChIKey is XTURNVGVQHSXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-12(15)13(10-17)16-8-6-11(7-9-16)14(2,3)4/h11-13,17H,5-10,15H2,1-4H3.
What are the key properties of 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol?
3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 104840411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).