N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C14H26N4 — CID 115761556

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCn1nccc1CNCCCN1CCCCC1
InChIInChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3
InChIKeyGATUGZJRGRUOGD-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.87
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 115761556) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID115761556
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCn1nccc1CNCCCN1CCCCC1
InChIInChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3
InChIKeyGATUGZJRGRUOGD-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 115761556) is N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine is CCn1nccc1CNCCCN1CCCCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is GATUGZJRGRUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 115761556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).