1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C17H23N3S — CID 115615393

IUPAC1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H23N3S/c1-13-11-20(2)9-8-15(13)18-10-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyFMACAMOHMPAALH-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.24
Rot. Bonds4

About 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 115615393) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID115615393
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H23N3S/c1-13-11-20(2)9-8-15(13)18-10-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyFMACAMOHMPAALH-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 115615393) is 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is CC1CN(C)CCC1NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is FMACAMOHMPAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-11-20(2)9-8-15(13)18-10-17-19-16(12-21-17)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115615393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).