(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol

C14H24N2OS — CID 90420068

IUPAC(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)C2CCN(C(C)(C)C)CC2)sn1
InChIInChI=1S/C14H24N2OS/c1-10-9-12(18-15-10)13(17)11-5-7-16(8-6-11)14(2,3)4/h9,11,13,17H,5-8H2,1-4H3
InChIKeyKNPJOIVVIIYBAY-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.00
Rot. Bonds2

About (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol

(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol (PubChem CID 90420068) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
PubChem CID90420068
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)C2CCN(C(C)(C)C)CC2)sn1
InChIInChI=1S/C14H24N2OS/c1-10-9-12(18-15-10)13(17)11-5-7-16(8-6-11)14(2,3)4/h9,11,13,17H,5-8H2,1-4H3
InChIKeyKNPJOIVVIIYBAY-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol (CID 90420068) is (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol is Cc1cc(C(O)C2CCN(C(C)(C)C)CC2)sn1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The InChIKey is KNPJOIVVIIYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-9-12(18-15-10)13(17)11-5-7-16(8-6-11)14(2,3)4/h9,11,13,17H,5-8H2,1-4H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
(1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol has a molecular weight of 268.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 90420068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).