N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C15H28N4 — CID 79714314

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cnn(CC)c1)CC1CCNCC1
InChIInChI=1S/C15H28N4/c1-3-9-18(11-14-5-7-16-8-6-14)12-15-10-17-19(4-2)13-15/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeyGSYUXJMRGAFXAM-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.11
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79714314) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79714314
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cnn(CC)c1)CC1CCNCC1
InChIInChI=1S/C15H28N4/c1-3-9-18(11-14-5-7-16-8-6-14)12-15-10-17-19(4-2)13-15/h10,13-14,16H,3-9,11-12H2,1-2H3
InChIKeyGSYUXJMRGAFXAM-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl-(piperidin-4-ylmethyl)amino]ethanol
CID 120858173
N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556404
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714133
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
2-[4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 79715642
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
1,4-diethylpyrazole;ethane
CID 143641951
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79714314) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1cnn(CC)c1)CC1CCNCC1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is GSYUXJMRGAFXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-9-18(11-14-5-7-16-8-6-14)12-15-10-17-19(4-2)13-15/h10,13-14,16H,3-9,11-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79714314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).