4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine

C19H21ClN4 — CID 90465495

IUPAC4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3c[nH]cc23)CC1
InChIInChI=1S/C19H21ClN4/c20-15-3-1-14(2-4-15)11-19(21)6-9-24(10-7-19)18-5-8-23-17-13-22-12-16(17)18/h1-5,8,12-13,22H,6-7,9-11,21H2
InChIKeyLNQMJRBAFHLQPP-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.76
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine

4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine (PubChem CID 90465495) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine
PubChem CID90465495
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3c[nH]cc23)CC1
InChIInChI=1S/C19H21ClN4/c20-15-3-1-14(2-4-15)11-19(21)6-9-24(10-7-19)18-5-8-23-17-13-22-12-16(17)18/h1-5,8,12-13,22H,6-7,9-11,21H2
InChIKeyLNQMJRBAFHLQPP-UHFFFAOYSA-N
XLogP3.76
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine (CID 90465495) is 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine is NC1(Cc2ccc(Cl)cc2)CCN(c2ccnc3c[nH]cc23)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
The InChIKey is LNQMJRBAFHLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-15-3-1-14(2-4-15)11-19(21)6-9-24(10-7-19)18-5-8-23-17-13-22-12-16(17)18/h1-5,8,12-13,22H,6-7,9-11,21H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine?
4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine has a molecular weight of 340.86 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(6H-pyrrolo[3,4-b]pyridin-4-yl)piperidin-4-amine is sourced from PubChem (CID 90465495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).