4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine

C21H30N2O — CID 20777024

IUPAC4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine
SMILESCC1CCN(Cc2cccc(C#CCCN3CCOCC3)c2)CC1
InChIInChI=1S/C21H30N2O/c1-19-8-11-23(12-9-19)18-21-7-4-6-20(17-21)5-2-3-10-22-13-15-24-16-14-22/h4,6-7,17,19H,3,8-16,18H2,1H3
InChIKeyQHZUQNNKNBLSNM-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.99
Rot. Bonds4

About 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine

4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine (PubChem CID 20777024) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine
PubChem CID20777024
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine
SMILESCC1CCN(Cc2cccc(C#CCCN3CCOCC3)c2)CC1
InChIInChI=1S/C21H30N2O/c1-19-8-11-23(12-9-19)18-21-7-4-6-20(17-21)5-2-3-10-22-13-15-24-16-14-22/h4,6-7,17,19H,3,8-16,18H2,1H3
InChIKeyQHZUQNNKNBLSNM-UHFFFAOYSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine with MolForge

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Related Compounds

3-[3-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-yn-1-amine
CID 62973302
4-[(3-but-3-en-1-ynylphenyl)methyl]morpholine
CID 58981680
[3-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]methanamine
CID 10759007
3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54969416
4-[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 102964582
4-[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]but-3-yn-1-ol
CID 62972396
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
4-benzyl-1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
CID 10172984
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholin-3-one
CID 79469513

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine?
The IUPAC name of 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine (CID 20777024) is 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine.
What is the SMILES notation for 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine?
The canonical SMILES for 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine is CC1CCN(Cc2cccc(C#CCCN3CCOCC3)c2)CC1.
What is the InChIKey of 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine?
The InChIKey is QHZUQNNKNBLSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-19-8-11-23(12-9-19)18-21-7-4-6-20(17-21)5-2-3-10-22-13-15-24-16-14-22/h4,6-7,17,19H,3,8-16,18H2,1H3.
What are the key properties of 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine?
4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine has a molecular weight of 326.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]but-3-ynyl]morpholine is sourced from PubChem (CID 20777024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).