N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C17H23N3S — CID 63155065

IUPACN-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1cscn1)CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H23N3S/c1-20(11-16-12-21-14-19-16)13-17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,12,14,18H,7-11,13H2,1H3
InChIKeyXLJPUDGAHKVMPZ-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 63155065) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID63155065
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1cscn1)CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H23N3S/c1-20(11-16-12-21-14-19-16)13-17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,12,14,18H,7-11,13H2,1H3
InChIKeyXLJPUDGAHKVMPZ-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 63155065) is N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is CN(Cc1cscn1)CC1(c2ccccc2)CCNCC1.
What is the InChIKey of N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is XLJPUDGAHKVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-20(11-16-12-21-14-19-16)13-17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,12,14,18H,7-11,13H2,1H3.
What are the key properties of N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 63155065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).