2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine

C16H28N4O — CID 175658986

IUPAC2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCn1ccc(CN2CCC(CCC3CNCCO3)CC2)n1
InChIInChI=1S/C16H28N4O/c1-19-8-6-15(18-19)13-20-9-4-14(5-10-20)2-3-16-12-17-7-11-21-16/h6,8,14,16-17H,2-5,7,9-13H2,1H3
InChIKeyNUXPENQLEPSPCI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.40
Rot. Bonds5

About 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine

2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 175658986) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID175658986
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCn1ccc(CN2CCC(CCC3CNCCO3)CC2)n1
InChIInChI=1S/C16H28N4O/c1-19-8-6-15(18-19)13-20-9-4-14(5-10-20)2-3-16-12-17-7-11-21-16/h6,8,14,16-17H,2-5,7,9-13H2,1H3
InChIKeyNUXPENQLEPSPCI-UHFFFAOYSA-N
XLogP1.40
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine (CID 175658986) is 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine is Cn1ccc(CN2CCC(CCC3CNCCO3)CC2)n1.
What is the InChIKey of 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is NUXPENQLEPSPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19-8-6-15(18-19)13-20-9-4-14(5-10-20)2-3-16-12-17-7-11-21-16/h6,8,14,16-17H,2-5,7,9-13H2,1H3.
What are the key properties of 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine?
2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 292.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 175658986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).