2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine

C22H26N4O — CID 91836944

IUPAC2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)c1
InChIInChI=1S/C22H26N4O/c1-27-21-7-10-23-20(14-21)16-26-11-8-18(9-12-26)22-15-19(24-25-22)13-17-5-3-2-4-6-17/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H,24,25)
InChIKeyXGHDNXVUJDBBAO-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.78
Rot. Bonds6

About 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine

2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine (PubChem CID 91836944) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine.

Molecular Properties

Compound Name2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine
PubChem CID91836944
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)c1
InChIInChI=1S/C22H26N4O/c1-27-21-7-10-23-20(14-21)16-26-11-8-18(9-12-26)22-15-19(24-25-22)13-17-5-3-2-4-6-17/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H,24,25)
InChIKeyXGHDNXVUJDBBAO-UHFFFAOYSA-N
XLogP3.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine?
The IUPAC name of 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine (CID 91836944) is 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine.
What is the SMILES notation for 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine?
The canonical SMILES for 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine is COc1ccnc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)c1.
What is the InChIKey of 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine?
The InChIKey is XGHDNXVUJDBBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-21-7-10-23-20(14-21)16-26-11-8-18(9-12-26)22-15-19(24-25-22)13-17-5-3-2-4-6-17/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H,24,25).
What are the key properties of 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine?
2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine has a molecular weight of 362.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-methoxypyridine is sourced from PubChem (CID 91836944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).