4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine

C23H29N3O — CID 142644942

IUPAC4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine
SMILESC(#CCN1CCNC(Cc2ccc3ccccc3c2)C1)CN1CCOCC1
InChIInChI=1S/C23H29N3O/c1-2-6-22-17-20(7-8-21(22)5-1)18-23-19-26(12-9-24-23)11-4-3-10-25-13-15-27-16-14-25/h1-2,5-8,17,23-24H,9-16,18-19H2
InChIKeyUOIDDJBGKPDMAE-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.99
Rot. Bonds4

About 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine

4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine (PubChem CID 142644942) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine
PubChem CID142644942
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine
SMILESC(#CCN1CCNC(Cc2ccc3ccccc3c2)C1)CN1CCOCC1
InChIInChI=1S/C23H29N3O/c1-2-6-22-17-20(7-8-21(22)5-1)18-23-19-26(12-9-24-23)11-4-3-10-25-13-15-27-16-14-25/h1-2,5-8,17,23-24H,9-16,18-19H2
InChIKeyUOIDDJBGKPDMAE-UHFFFAOYSA-N
XLogP1.99
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine?
The IUPAC name of 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine (CID 142644942) is 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine.
What is the SMILES notation for 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine?
The canonical SMILES for 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine is C(#CCN1CCNC(Cc2ccc3ccccc3c2)C1)CN1CCOCC1.
What is the InChIKey of 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine?
The InChIKey is UOIDDJBGKPDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-6-22-17-20(7-8-21(22)5-1)18-23-19-26(12-9-24-23)11-4-3-10-25-13-15-27-16-14-25/h1-2,5-8,17,23-24H,9-16,18-19H2.
What are the key properties of 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine?
4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine has a molecular weight of 363.51 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(naphthalen-2-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine is sourced from PubChem (CID 142644942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).