1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

C14H27Cl2N3S — CID 119920780

IUPAC1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCCCc1nc(CN2CCC(C(C)N)CC2)cs1.Cl.Cl
InChIInChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(10-18-14)9-17-7-5-12(6-8-17)11(2)15;;/h10-12H,3-9,15H2,1-2H3;2*1H
InChIKeyYWPLSSZMGYNTDO-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (PubChem CID 119920780) has the molecular formula C14H27Cl2N3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
PubChem CID119920780
Molecular FormulaC14H27Cl2N3S
Molecular Weight340.36 g/mol
Exact Mass339.13
IUPAC Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCCCc1nc(CN2CCC(C(C)N)CC2)cs1.Cl.Cl
InChIInChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(10-18-14)9-17-7-5-12(6-8-17)11(2)15;;/h10-12H,3-9,15H2,1-2H3;2*1H
InChIKeyYWPLSSZMGYNTDO-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (CID 119920780) is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is CCCc1nc(CN2CCC(C(C)N)CC2)cs1.Cl.Cl.
What is the InChIKey of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The InChIKey is YWPLSSZMGYNTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S.2ClH/c1-3-4-14-16-13(10-18-14)9-17-7-5-12(6-8-17)11(2)15;;/h10-12H,3-9,15H2,1-2H3;2*1H.
What are the key properties of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride has a molecular weight of 340.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 119920780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).