N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine

C14H26N4 — CID 79714881

IUPACN-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)N(CCn1cccn1)CC1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(2)17(10-11-18-9-3-6-16-18)12-14-4-7-15-8-5-14/h3,6,9,13-15H,4-5,7-8,10-12H2,1-2H3
InChIKeyYLVGWKWYOQPMGF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.59
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine

N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine (PubChem CID 79714881) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
PubChem CID79714881
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)N(CCn1cccn1)CC1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(2)17(10-11-18-9-3-6-16-18)12-14-4-7-15-8-5-14/h3,6,9,13-15H,4-5,7-8,10-12H2,1-2H3
InChIKeyYLVGWKWYOQPMGF-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine (CID 79714881) is N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine is CC(C)N(CCn1cccn1)CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The InChIKey is YLVGWKWYOQPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(2)17(10-11-18-9-3-6-16-18)12-14-4-7-15-8-5-14/h3,6,9,13-15H,4-5,7-8,10-12H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine?
N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 79714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).