N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine

C16H21N3S — CID 62585443

IUPACN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine
SMILESc1cc2sccc2c(N2CCCC(CNC3CC3)C2)n1
InChIInChI=1S/C16H21N3S/c1-2-12(10-18-13-3-4-13)11-19(8-1)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,1-4,8,10-11H2
InChIKeyQBAPFCAKNQXUNB-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine

N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine (PubChem CID 62585443) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine
PubChem CID62585443
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine
SMILESc1cc2sccc2c(N2CCCC(CNC3CC3)C2)n1
InChIInChI=1S/C16H21N3S/c1-2-12(10-18-13-3-4-13)11-19(8-1)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,1-4,8,10-11H2
InChIKeyQBAPFCAKNQXUNB-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine (CID 62585443) is N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine is c1cc2sccc2c(N2CCCC(CNC3CC3)C2)n1.
What is the InChIKey of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine?
The InChIKey is QBAPFCAKNQXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-12(10-18-13-3-4-13)11-19(8-1)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,1-4,8,10-11H2.
What are the key properties of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine?
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine has a molecular weight of 287.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62585443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).