N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine

C13H18N4 — CID 83007539

IUPACN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
SMILESc1cnc2[nH]cc(CNN3CCCCC3)c2c1
InChIInChI=1S/C13H18N4/c1-2-7-17(8-3-1)16-10-11-9-15-13-12(11)5-4-6-14-13/h4-6,9,16H,1-3,7-8,10H2,(H,14,15)
InChIKeyCMIDQJLPYWCFDN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.05
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine

N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine (PubChem CID 83007539) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
PubChem CID83007539
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
SMILESc1cnc2[nH]cc(CNN3CCCCC3)c2c1
InChIInChI=1S/C13H18N4/c1-2-7-17(8-3-1)16-10-11-9-15-13-12(11)5-4-6-14-13/h4-6,9,16H,1-3,7-8,10H2,(H,14,15)
InChIKeyCMIDQJLPYWCFDN-UHFFFAOYSA-N
XLogP2.05
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine (CID 83007539) is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine is c1cnc2[nH]cc(CNN3CCCCC3)c2c1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine?
The InChIKey is CMIDQJLPYWCFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-7-17(8-3-1)16-10-11-9-15-13-12(11)5-4-6-14-13/h4-6,9,16H,1-3,7-8,10H2,(H,14,15).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine?
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine is sourced from PubChem (CID 83007539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).