2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine

C22H29N3 — CID 141336819

IUPAC2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCC(C)CN1CCC(c2ccc(N3Cc4ccncc4C3)cc2)CC1
InChIInChI=1S/C22H29N3/c1-17(2)14-24-11-8-19(9-12-24)18-3-5-22(6-4-18)25-15-20-7-10-23-13-21(20)16-25/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3
InChIKeyOHBWNWYXAPTDBN-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.44
Rot. Bonds4

About 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine

2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 141336819) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID141336819
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCC(C)CN1CCC(c2ccc(N3Cc4ccncc4C3)cc2)CC1
InChIInChI=1S/C22H29N3/c1-17(2)14-24-11-8-19(9-12-24)18-3-5-22(6-4-18)25-15-20-7-10-23-13-21(20)16-25/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3
InChIKeyOHBWNWYXAPTDBN-UHFFFAOYSA-N
XLogP4.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde
CID 174870028
4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine
CID 141158288
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
CID 59705532
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
CID 103936581
4-(4-pyridin-4-ylpiperidin-1-yl)aniline
CID 11021416
2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
CID 174853959
2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine
CID 123786311
1-(2-methylpropyl)-N-[(2S)-2-pyridin-3-yloxypropyl]piperidin-4-amine
CID 95230119
N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
CID 136529734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine (CID 141336819) is 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine is CC(C)CN1CCC(c2ccc(N3Cc4ccncc4C3)cc2)CC1.
What is the InChIKey of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is OHBWNWYXAPTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-17(2)14-24-11-8-19(9-12-24)18-3-5-22(6-4-18)25-15-20-7-10-23-13-21(20)16-25/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3.
What are the key properties of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine?
2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 335.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 141336819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).