N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine

C15H22N4 — CID 129317438

IUPACN,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine
SMILESCN(C)Cc1cc2ncccc2n1C1CCNCC1
InChIInChI=1S/C15H22N4/c1-18(2)11-13-10-14-15(4-3-7-17-14)19(13)12-5-8-16-9-6-12/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3
InChIKeyBZXPTRPPRXCNEF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.02
Rot. Bonds3

About N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine

N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine (PubChem CID 129317438) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine
PubChem CID129317438
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine
SMILESCN(C)Cc1cc2ncccc2n1C1CCNCC1
InChIInChI=1S/C15H22N4/c1-18(2)11-13-10-14-15(4-3-7-17-14)19(13)12-5-8-16-9-6-12/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3
InChIKeyBZXPTRPPRXCNEF-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine (CID 129317438) is N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine is CN(C)Cc1cc2ncccc2n1C1CCNCC1.
What is the InChIKey of N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine?
The InChIKey is BZXPTRPPRXCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)11-13-10-14-15(4-3-7-17-14)19(13)12-5-8-16-9-6-12/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine?
N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 129317438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).