2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol

C15H25N3OS — CID 69378178

IUPAC2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESOCC(C1CCNCC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H25N3OS/c19-11-14(12-1-5-16-6-2-12)18-8-3-13(4-9-18)15-17-7-10-20-15/h7,10,12-14,16,19H,1-6,8-9,11H2
InChIKeyNVCLUVNDNMBTCE-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.68
Rot. Bonds4

About 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol

2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol (PubChem CID 69378178) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol
PubChem CID69378178
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESOCC(C1CCNCC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H25N3OS/c19-11-14(12-1-5-16-6-2-12)18-8-3-13(4-9-18)15-17-7-10-20-15/h7,10,12-14,16,19H,1-6,8-9,11H2
InChIKeyNVCLUVNDNMBTCE-UHFFFAOYSA-N
XLogP1.68
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol (CID 69378178) is 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol is OCC(C1CCNCC1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The InChIKey is NVCLUVNDNMBTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c19-11-14(12-1-5-16-6-2-12)18-8-3-13(4-9-18)15-17-7-10-20-15/h7,10,12-14,16,19H,1-6,8-9,11H2.
What are the key properties of 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol has a molecular weight of 295.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 69378178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).