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

C17H24N4S — CID 70707312

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1nc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1
InChIInChI=1S/C17H24N4S/c1-14-19-16(13-22-14)12-21(11-15-3-7-18-8-4-15)17-5-9-20(2)10-6-17/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyCDDZMUKFGXWDOG-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.94
Rot. Bonds5

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

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 70707312) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID70707312
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1nc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1
InChIInChI=1S/C17H24N4S/c1-14-19-16(13-22-14)12-21(11-15-3-7-18-8-4-15)17-5-9-20(2)10-6-17/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyCDDZMUKFGXWDOG-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 70707312) is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is Cc1nc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is CDDZMUKFGXWDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-14-19-16(13-22-14)12-21(11-15-3-7-18-8-4-15)17-5-9-20(2)10-6-17/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine?
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 70707312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).