N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

C17H26N6 — CID 124617495

IUPACN-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESC[C@@H](c1cnccn1)N(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H26N6/c1-15(17-14-18-7-8-19-17)21(2)16-4-10-22(11-5-16)12-13-23-9-3-6-20-23/h3,6-9,14-16H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyMWRYGCLYXGKSOA-HNNXBMFYSA-N
MW314.44 g/mol
LogP1.83
Rot. Bonds6

About N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (PubChem CID 124617495) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
PubChem CID124617495
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESC[C@@H](c1cnccn1)N(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H26N6/c1-15(17-14-18-7-8-19-17)21(2)16-4-10-22(11-5-16)12-13-23-9-3-6-20-23/h3,6-9,14-16H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyMWRYGCLYXGKSOA-HNNXBMFYSA-N
XLogP1.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (CID 124617495) is N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is C[C@@H](c1cnccn1)N(C)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The InChIKey is MWRYGCLYXGKSOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6/c1-15(17-14-18-7-8-19-17)21(2)16-4-10-22(11-5-16)12-13-23-9-3-6-20-23/h3,6-9,14-16H,4-5,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 124617495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).