2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

C21H29N3S — CID 155501199

IUPAC2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESc1ccc(CCN2CCC(C3CCN(c4nccs4)CC3)CC2)cc1
InChIInChI=1S/C21H29N3S/c1-2-4-18(5-3-1)6-12-23-13-7-19(8-14-23)20-9-15-24(16-10-20)21-22-11-17-25-21/h1-5,11,17,19-20H,6-10,12-16H2
InChIKeyWACJQOFJMHYGFA-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.31
Rot. Bonds5

About 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (PubChem CID 155501199) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
PubChem CID155501199
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC Name2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESc1ccc(CCN2CCC(C3CCN(c4nccs4)CC3)CC2)cc1
InChIInChI=1S/C21H29N3S/c1-2-4-18(5-3-1)6-12-23-13-7-19(8-14-23)20-9-15-24(16-10-20)21-22-11-17-25-21/h1-5,11,17,19-20H,6-10,12-16H2
InChIKeyWACJQOFJMHYGFA-UHFFFAOYSA-N
XLogP4.31
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222
6-[(3R)-3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95722474
6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56908017
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1,4-bis(2-phenylethyl)piperidine
CID 86059939
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 79611595
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (CID 155501199) is 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is c1ccc(CCN2CCC(C3CCN(c4nccs4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is WACJQOFJMHYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3S/c1-2-4-18(5-3-1)6-12-23-13-7-19(8-14-23)20-9-15-24(16-10-20)21-22-11-17-25-21/h1-5,11,17,19-20H,6-10,12-16H2.
What are the key properties of 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 355.55 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 155501199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).