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

C18H25N3S — CID 71860515

IUPAC1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1csc(CNC2CCN(Cc3ccccc3)C(C)C2)n1
InChIInChI=1S/C18H25N3S/c1-14-13-22-18(20-14)11-19-17-8-9-21(15(2)10-17)12-16-6-4-3-5-7-16/h3-7,13,15,17,19H,8-12H2,1-2H3
InChIKeyYJRWCBAWJJASPI-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.59
Rot. Bonds5

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

1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 71860515) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID71860515
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1csc(CNC2CCN(Cc3ccccc3)C(C)C2)n1
InChIInChI=1S/C18H25N3S/c1-14-13-22-18(20-14)11-19-17-8-9-21(15(2)10-17)12-16-6-4-3-5-7-16/h3-7,13,15,17,19H,8-12H2,1-2H3
InChIKeyYJRWCBAWJJASPI-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 71860515) is 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is Cc1csc(CNC2CCN(Cc3ccccc3)C(C)C2)n1.
What is the InChIKey of 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is YJRWCBAWJJASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-14-13-22-18(20-14)11-19-17-8-9-21(15(2)10-17)12-16-6-4-3-5-7-16/h3-7,13,15,17,19H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 71860515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).