3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C21H25N3 — CID 21462964

IUPAC3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
InChIKeyYLBNUQZHSMXDAJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.41
Rot. Bonds5

About 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 21462964) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID21462964
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
InChIKeyYLBNUQZHSMXDAJ-UHFFFAOYSA-N
XLogP4.41
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-745870
CID 5311200
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
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CID 73053710
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
PF-06447475
CID 72706840
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 21462964) is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1.
What is the InChIKey of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YLBNUQZHSMXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23).
What are the key properties of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 319.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 21462964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).