N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

C17H23N5O2 — CID 133454251

IUPACN-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H23N5O2/c1-19(15-3-5-17(6-4-15)22(23)24)16-7-11-20(12-8-16)13-14-21-10-2-9-18-21/h2-6,9-10,16H,7-8,11-14H2,1H3
InChIKeyCGMQZTDBDPIQSG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.39
Rot. Bonds6

About N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (PubChem CID 133454251) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
PubChem CID133454251
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H23N5O2/c1-19(15-3-5-17(6-4-15)22(23)24)16-7-11-20(12-8-16)13-14-21-10-2-9-18-21/h2-6,9-10,16H,7-8,11-14H2,1H3
InChIKeyCGMQZTDBDPIQSG-UHFFFAOYSA-N
XLogP2.39
TPSA67.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (CID 133454251) is N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is CN(c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The InChIKey is CGMQZTDBDPIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-19(15-3-5-17(6-4-15)22(23)24)16-7-11-20(12-8-16)13-14-21-10-2-9-18-21/h2-6,9-10,16H,7-8,11-14H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 133454251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).