1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

C17H23N3 — CID 90495315

IUPAC1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1ccccc1CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H23N3/c1-15-5-2-3-6-17(15)14-19-11-7-16(8-12-19)13-20-10-4-9-18-20/h2-6,9-10,16H,7-8,11-14H2,1H3
InChIKeyQJYYCXJKEJVYMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.10
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 90495315) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID90495315
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1ccccc1CN1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H23N3/c1-15-5-2-3-6-17(15)14-19-11-7-16(8-12-19)13-20-10-4-9-18-20/h2-6,9-10,16H,7-8,11-14H2,1H3
InChIKeyQJYYCXJKEJVYMB-UHFFFAOYSA-N
XLogP3.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (CID 90495315) is 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is Cc1ccccc1CN1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is QJYYCXJKEJVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-15-5-2-3-6-17(15)14-19-11-7-16(8-12-19)13-20-10-4-9-18-20/h2-6,9-10,16H,7-8,11-14H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90495315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).