N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine

C17H25N5 — CID 75499739

IUPACN-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
SMILESCC(CCn1cccn1)NC1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H25N5/c1-15(8-13-22-12-5-10-19-22)20-16-6-4-11-21(14-16)17-7-2-3-9-18-17/h2-3,5,7,9-10,12,15-16,20H,4,6,8,11,13-14H2,1H3
InChIKeyOLOBIKCGMCTEIU-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.32
Rot. Bonds6

About N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine

N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine (PubChem CID 75499739) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
PubChem CID75499739
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
SMILESCC(CCn1cccn1)NC1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H25N5/c1-15(8-13-22-12-5-10-19-22)20-16-6-4-11-21(14-16)17-7-2-3-9-18-17/h2-3,5,7,9-10,12,15-16,20H,4,6,8,11,13-14H2,1H3
InChIKeyOLOBIKCGMCTEIU-UHFFFAOYSA-N
XLogP2.32
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 110013412
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 97108049
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine (CID 75499739) is N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine is CC(CCn1cccn1)NC1CCCN(c2ccccn2)C1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine?
The InChIKey is OLOBIKCGMCTEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-15(8-13-22-12-5-10-19-22)20-16-6-4-11-21(14-16)17-7-2-3-9-18-17/h2-3,5,7,9-10,12,15-16,20H,4,6,8,11,13-14H2,1H3.
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine?
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine is sourced from PubChem (CID 75499739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).