[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C19H21BrN2O2 — CID 10500522

IUPAC[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-6-2-15(3-7-18)19(23)22-10-8-14(9-11-22)12-17-5-4-16(20)13-21-17/h2-7,13-14H,8-12H2,1H3
InChIKeyPYIGNPHIVMJRAA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.95
Rot. Bonds4

About [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 10500522) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID10500522
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-6-2-15(3-7-18)19(23)22-10-8-14(9-11-22)12-17-5-4-16(20)13-21-17/h2-7,13-14H,8-12H2,1H3
InChIKeyPYIGNPHIVMJRAA-UHFFFAOYSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 10500522) is [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(Cc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PYIGNPHIVMJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-18-6-2-15(3-7-18)19(23)22-10-8-14(9-11-22)12-17-5-4-16(20)13-21-17/h2-7,13-14H,8-12H2,1H3.
What are the key properties of [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 389.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10500522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).