N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine

C19H28N4 — CID 46995410

IUPACN-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCCC(CC)NC1CCN(c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C19H28N4/c1-3-16(4-2)21-17-10-14-22(15-11-17)18-6-8-19(9-7-18)23-13-5-12-20-23/h5-9,12-13,16-17,21H,3-4,10-11,14-15H2,1-2H3
InChIKeyMHPYGCCLQZYGSL-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.62
Rot. Bonds6

About N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine

N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (PubChem CID 46995410) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
PubChem CID46995410
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCCC(CC)NC1CCN(c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C19H28N4/c1-3-16(4-2)21-17-10-14-22(15-11-17)18-6-8-19(9-7-18)23-13-5-12-20-23/h5-9,12-13,16-17,21H,3-4,10-11,14-15H2,1-2H3
InChIKeyMHPYGCCLQZYGSL-UHFFFAOYSA-N
XLogP3.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The IUPAC name of N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (CID 46995410) is N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is CCC(CC)NC1CCN(c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The InChIKey is MHPYGCCLQZYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-3-16(4-2)21-17-10-14-22(15-11-17)18-6-8-19(9-7-18)23-13-5-12-20-23/h5-9,12-13,16-17,21H,3-4,10-11,14-15H2,1-2H3.
What are the key properties of N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 46995410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).