1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol

C14H24N2OS — CID 90419957

IUPAC1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol
SMILESCc1cc(CC2(O)CCN(C(C)(C)C)CC2)sn1
InChIInChI=1S/C14H24N2OS/c1-11-9-12(18-15-11)10-14(17)5-7-16(8-6-14)13(2,3)4/h9,17H,5-8,10H2,1-4H3
InChIKeyWXJCYXFIJDQXPI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.62
Rot. Bonds2

About 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol

1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol (PubChem CID 90419957) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol
PubChem CID90419957
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol
SMILESCc1cc(CC2(O)CCN(C(C)(C)C)CC2)sn1
InChIInChI=1S/C14H24N2OS/c1-11-9-12(18-15-11)10-14(17)5-7-16(8-6-14)13(2,3)4/h9,17H,5-8,10H2,1-4H3
InChIKeyWXJCYXFIJDQXPI-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol (CID 90419957) is 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol is Cc1cc(CC2(O)CCN(C(C)(C)C)CC2)sn1.
What is the InChIKey of 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is WXJCYXFIJDQXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-9-12(18-15-11)10-14(17)5-7-16(8-6-14)13(2,3)4/h9,17H,5-8,10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol?
1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 268.43 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 90419957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).