1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine

C13H24N4 — CID 54881889

IUPAC1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1ccn[nH]1
InChIInChI=1S/C13H24N4/c1-11(10-17-8-4-3-5-9-17)15-12(2)13-6-7-14-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyGZHMDIAKBKKCIW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.93
Rot. Bonds5

About 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine

1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine (PubChem CID 54881889) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
PubChem CID54881889
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1ccn[nH]1
InChIInChI=1S/C13H24N4/c1-11(10-17-8-4-3-5-9-17)15-12(2)13-6-7-14-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyGZHMDIAKBKKCIW-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61472134
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 60971669
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
4-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4,5-diamine
CID 82239020
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine (CID 54881889) is 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine is CC(CN1CCCCC1)NC(C)c1ccn[nH]1.
What is the InChIKey of 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is GZHMDIAKBKKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(10-17-8-4-3-5-9-17)15-12(2)13-6-7-14-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3,(H,14,16).
What are the key properties of 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine?
1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 54881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).