N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

C23H27N3OS — CID 10157416

IUPACN-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2nc(C)cs2)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-16-15-28-23(26-16)18-10-11-21(27-2)19(13-18)14-25-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,20,22,24-25H,6,9,12,14H2,1-2H3
InChIKeyWULWKBILIYREJA-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.71
Rot. Bonds6

About N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 10157416) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID10157416
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2nc(C)cs2)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-16-15-28-23(26-16)18-10-11-21(27-2)19(13-18)14-25-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,20,22,24-25H,6,9,12,14H2,1-2H3
InChIKeyWULWKBILIYREJA-UHFFFAOYSA-N
XLogP4.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 10157416) is N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2nc(C)cs2)cc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is WULWKBILIYREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16-15-28-23(26-16)18-10-11-21(27-2)19(13-18)14-25-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,20,22,24-25H,6,9,12,14H2,1-2H3.
What are the key properties of N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 393.56 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10157416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).