1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine

C13H18N4 — CID 143949740

IUPAC1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine
SMILESCn1cc(N2CCC(N)CC2)c2ncccc21
InChIInChI=1S/C13H18N4/c1-16-9-12(13-11(16)3-2-6-15-13)17-7-4-10(14)5-8-17/h2-3,6,9-10H,4-5,7-8,14H2,1H3
InChIKeyNPMRASNWSQHEJJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.50
Rot. Bonds1

About 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine

1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine (PubChem CID 143949740) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine
PubChem CID143949740
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine
SMILESCn1cc(N2CCC(N)CC2)c2ncccc21
InChIInChI=1S/C13H18N4/c1-16-9-12(13-11(16)3-2-6-15-13)17-7-4-10(14)5-8-17/h2-3,6,9-10H,4-5,7-8,14H2,1H3
InChIKeyNPMRASNWSQHEJJ-UHFFFAOYSA-N
XLogP1.50
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine (CID 143949740) is 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine is Cn1cc(N2CCC(N)CC2)c2ncccc21.
What is the InChIKey of 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine?
The InChIKey is NPMRASNWSQHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-9-12(13-11(16)3-2-6-15-13)17-7-4-10(14)5-8-17/h2-3,6,9-10H,4-5,7-8,14H2,1H3.
What are the key properties of 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine?
1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine is sourced from PubChem (CID 143949740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).