1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

C22H26N4 — CID 26463353

IUPAC1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-19(8-4-1)17-25-13-11-21(12-14-25)23-15-20-16-24-26(18-20)22-9-5-2-6-10-22/h1-10,16,18,21,23H,11-15,17H2
InChIKeyLCPNHQSFUSGCEY-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.63
Rot. Bonds6

About 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 26463353) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID26463353
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-19(8-4-1)17-25-13-11-21(12-14-25)23-15-20-16-24-26(18-20)22-9-5-2-6-10-22/h1-10,16,18,21,23H,11-15,17H2
InChIKeyLCPNHQSFUSGCEY-UHFFFAOYSA-N
XLogP3.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (CID 26463353) is 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is LCPNHQSFUSGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-7-19(8-4-1)17-25-13-11-21(12-14-25)23-15-20-16-24-26(18-20)22-9-5-2-6-10-22/h1-10,16,18,21,23H,11-15,17H2.
What are the key properties of 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 26463353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).