5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C13H21N3 — CID 84740286

IUPAC5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CCc2[nH]ccc2C1C1CCNCC1
InChIInChI=1S/C13H21N3/c1-16-9-5-12-11(4-8-15-12)13(16)10-2-6-14-7-3-10/h4,8,10,13-15H,2-3,5-7,9H2,1H3
InChIKeyRLCZDQYLAWFFOX-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.54
Rot. Bonds1

About 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 84740286) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID84740286
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CCc2[nH]ccc2C1C1CCNCC1
InChIInChI=1S/C13H21N3/c1-16-9-5-12-11(4-8-15-12)13(16)10-2-6-14-7-3-10/h4,8,10,13-15H,2-3,5-7,9H2,1H3
InChIKeyRLCZDQYLAWFFOX-UHFFFAOYSA-N
XLogP1.54
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67304505
2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 116995600
6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
CID 116995669
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
CID 21240902
4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[3,2-g]isoquinoline
CID 18936213
N-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-4-amine
CID 130918644
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine
CID 59396244
1-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 5263828
2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-4-yl)ethanamine
CID 82417410

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 84740286) is 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CN1CCc2[nH]ccc2C1C1CCNCC1.
What is the InChIKey of 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is RLCZDQYLAWFFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-9-5-12-11(4-8-15-12)13(16)10-2-6-14-7-3-10/h4,8,10,13-15H,2-3,5-7,9H2,1H3.
What are the key properties of 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 219.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-4-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 84740286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).