N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C15H28N4 — CID 114556405

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccnn1CC)CC1CCNCC1
InChIInChI=1S/C15H28N4/c1-3-11-18(12-14-5-8-16-9-6-14)13-15-7-10-17-19(15)4-2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3
InChIKeyQEKJKFUHIJDLED-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.11
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 114556405) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID114556405
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccnn1CC)CC1CCNCC1
InChIInChI=1S/C15H28N4/c1-3-11-18(12-14-5-8-16-9-6-14)13-15-7-10-17-19(15)4-2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3
InChIKeyQEKJKFUHIJDLED-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 114556405) is N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1ccnn1CC)CC1CCNCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is QEKJKFUHIJDLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-11-18(12-14-5-8-16-9-6-14)13-15-7-10-17-19(15)4-2/h7,10,14,16H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 114556405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).