1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

C13H24N4 — CID 54897678

IUPAC1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCN1CCC(C(C)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H24N4/c1-3-17-6-4-13(5-7-17)11(2)14-8-12-9-15-16-10-12/h9-11,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOJIUBXPADMMED-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.62
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 54897678) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID54897678
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCN1CCC(C(C)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H24N4/c1-3-17-6-4-13(5-7-17)11(2)14-8-12-9-15-16-10-12/h9-11,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOJIUBXPADMMED-UHFFFAOYSA-N
XLogP1.62
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
1-ethyl-N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 65073278
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
1-(1-ethylpiperidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 55081497
methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
CID 43307422
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 54897678) is 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is CCN1CCC(C(C)NCc2cn[nH]c2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is POJIUBXPADMMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-6-4-13(5-7-17)11(2)14-8-12-9-15-16-10-12/h9-11,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 54897678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).