1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C14H26N4 — CID 61285477

IUPAC1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCCN1CCCC(C(C)NCc2ccn[nH]2)C1
InChIInChI=1S/C14H26N4/c1-3-8-18-9-4-5-13(11-18)12(2)15-10-14-6-7-16-17-14/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,16,17)
InChIKeyNACLLMWIKRNQEB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.01
Rot. Bonds6

About 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 61285477) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID61285477
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCCN1CCCC(C(C)NCc2ccn[nH]2)C1
InChIInChI=1S/C14H26N4/c1-3-8-18-9-4-5-13(11-18)12(2)15-10-14-6-7-16-17-14/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,16,17)
InChIKeyNACLLMWIKRNQEB-UHFFFAOYSA-N
XLogP2.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 61285477) is 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is CCCN1CCCC(C(C)NCc2ccn[nH]2)C1.
What is the InChIKey of 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is NACLLMWIKRNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-8-18-9-4-5-13(11-18)12(2)15-10-14-6-7-16-17-14/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,16,17).
What are the key properties of 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 61285477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).