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

C16H23N3S — CID 62588134

IUPACN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C16H23N3S/c1-12(2)18-10-13-4-3-8-19(11-13)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,3-4,8,10-11H2,1-2H3
InChIKeyAZVVYVMJXOLGAV-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.51
Rot. Bonds4

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

N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 62588134) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID62588134
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C16H23N3S/c1-12(2)18-10-13-4-3-8-19(11-13)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,3-4,8,10-11H2,1-2H3
InChIKeyAZVVYVMJXOLGAV-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629640
5,6-dimethyl-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine
CID 804886
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183
4-Piperazine-1-yl-thieno[2,3-c]pyridine hydrochloride
CID 45259316
N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135425186
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 2808597
N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-5-thiophen-2-ylpyridin-2-amine
CID 89743506

Frequently Asked Questions

What is the IUPAC name of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine (CID 62588134) is N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine is CC(C)NCC1CCCN(c2nccc3sccc23)C1.
What is the InChIKey of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is AZVVYVMJXOLGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(2)18-10-13-4-3-8-19(11-13)16-14-6-9-20-15(14)5-7-17-16/h5-7,9,12-13,18H,3-4,8,10-11H2,1-2H3.
What are the key properties of N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.51, 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]propan-2-amine is sourced from PubChem (CID 62588134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).