(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine

C22H25NO — CID 25150487

IUPAC(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine
SMILESCOC[C@H]1CCCCN1C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-24-18-21-14-8-9-17-23(21)22(20-12-6-3-7-13-20)16-15-19-10-4-2-5-11-19/h2-7,10-13,21-22H,8-9,14,17-18H2,1H3/t21-,22?/m1/s1
InChIKeyDLLBVSYXKKHAGR-ZMFCMNQTSA-N
MW319.45 g/mol
LogP4.28
Rot. Bonds4

About (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine

(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine (PubChem CID 25150487) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine
PubChem CID25150487
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine
SMILESCOC[C@H]1CCCCN1C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-24-18-21-14-8-9-17-23(21)22(20-12-6-3-7-13-20)16-15-19-10-4-2-5-11-19/h2-7,10-13,21-22H,8-9,14,17-18H2,1H3/t21-,22?/m1/s1
InChIKeyDLLBVSYXKKHAGR-ZMFCMNQTSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(1S)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 138979034
[(2S)-1-[(1S)-1-(3-chlorophenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 25215298
[(2S)-1-[(1S)-1-(4-tert-butylphenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 101460713
3-[(1S)-1-[(2S)-2-(azidomethyl)pyrrolidin-1-yl]-3-phenylprop-2-ynyl]benzonitrile
CID 71762193
[(2S)-1-[(1S)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]pyrrolidin-2-yl]methanol
CID 24777092
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine?
The IUPAC name of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine (CID 25150487) is (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine.
What is the SMILES notation for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine?
The canonical SMILES for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine is COC[C@H]1CCCCN1C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine?
The InChIKey is DLLBVSYXKKHAGR-ZMFCMNQTSA-N. The full InChI is InChI=1S/C22H25NO/c1-24-18-21-14-8-9-17-23(21)22(20-12-6-3-7-13-20)16-15-19-10-4-2-5-11-19/h2-7,10-13,21-22H,8-9,14,17-18H2,1H3/t21-,22?/m1/s1.
What are the key properties of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine?
(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine has a molecular weight of 319.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine is sourced from PubChem (CID 25150487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).