N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine

C15H20N4 — CID 83006670

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
SMILESc1cnn(-c2ccc(CNN3CCCCC3)cc2)c1
InChIInChI=1S/C15H20N4/c1-2-10-18(11-3-1)17-13-14-5-7-15(8-6-14)19-12-4-9-16-19/h4-9,12,17H,1-3,10-11,13H2
InChIKeyYTZMTRGFTDVKPP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds4

About N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine

N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine (PubChem CID 83006670) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
PubChem CID83006670
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
SMILESc1cnn(-c2ccc(CNN3CCCCC3)cc2)c1
InChIInChI=1S/C15H20N4/c1-2-10-18(11-3-1)17-13-14-5-7-15(8-6-14)19-12-4-9-16-19/h4-9,12,17H,1-3,10-11,13H2
InChIKeyYTZMTRGFTDVKPP-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
CID 24896832
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 78883415
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
1-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712652
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine (CID 83006670) is N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine is c1cnn(-c2ccc(CNN3CCCCC3)cc2)c1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine?
The InChIKey is YTZMTRGFTDVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-10-18(11-3-1)17-13-14-5-7-15(8-6-14)19-12-4-9-16-19/h4-9,12,17H,1-3,10-11,13H2.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine?
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).