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

C16H21N3OS — CID 99824551

IUPAC1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
SMILESCc1ncsc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C16H21N3OS/c1-12-16(21-11-18-12)10-17-14-4-2-3-5-15(14)19-8-6-13(20)7-9-19/h2-5,11,13,17,20H,6-10H2,1H3
InChIKeyBCHZWKHQERRMII-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.02
Rot. Bonds4

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

1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol (PubChem CID 99824551) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
PubChem CID99824551
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
SMILESCc1ncsc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C16H21N3OS/c1-12-16(21-11-18-12)10-17-14-4-2-3-5-15(14)19-8-6-13(20)7-9-19/h2-5,11,13,17,20H,6-10H2,1H3
InChIKeyBCHZWKHQERRMII-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol (CID 99824551) is 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol is Cc1ncsc1CNc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is BCHZWKHQERRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-16(21-11-18-12)10-17-14-4-2-3-5-15(14)19-8-6-13(20)7-9-19/h2-5,11,13,17,20H,6-10H2,1H3.
What are the key properties of 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 303.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 99824551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).