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

C19H27N3OS — CID 56800885

IUPAC1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(NCc3csc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C19H27N3OS/c1-14(2)19-21-16(13-24-19)12-20-15-8-10-22(11-9-15)17-4-6-18(23-3)7-5-17/h4-7,13-15,20H,8-12H2,1-3H3
InChIKeyUZRMYXGSYFQJFH-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.03
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 56800885) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID56800885
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(NCc3csc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C19H27N3OS/c1-14(2)19-21-16(13-24-19)12-20-15-8-10-22(11-9-15)17-4-6-18(23-3)7-5-17/h4-7,13-15,20H,8-12H2,1-3H3
InChIKeyUZRMYXGSYFQJFH-UHFFFAOYSA-N
XLogP4.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 56800885) is 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is COc1ccc(N2CCC(NCc3csc(C(C)C)n3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is UZRMYXGSYFQJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-14(2)19-21-16(13-24-19)12-20-15-8-10-22(11-9-15)17-4-6-18(23-3)7-5-17/h4-7,13-15,20H,8-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 345.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56800885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).