ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane

C21H39NO — CID 143176394

IUPACethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
SMILESCC.CC(C)C(OC1CCN(C)CC1)c1ccccc1.CCC
InChIInChI=1S/C16H25NO.C3H8.C2H6/c1-13(2)16(14-7-5-4-6-8-14)18-15-9-11-17(3)12-10-15;1-3-2;1-2/h4-8,13,15-16H,9-12H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNDBDOTWSBMZMHF-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.94
Rot. Bonds4

About ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane

ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane (PubChem CID 143176394) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
PubChem CID143176394
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Nameethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
SMILESCC.CC(C)C(OC1CCN(C)CC1)c1ccccc1.CCC
InChIInChI=1S/C16H25NO.C3H8.C2H6/c1-13(2)16(14-7-5-4-6-8-14)18-15-9-11-17(3)12-10-15;1-3-2;1-2/h4-8,13,15-16H,9-12H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNDBDOTWSBMZMHF-UHFFFAOYSA-N
XLogP5.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
4-[(4-tert-butylphenyl)-phenylmethoxy]-1-methylpiperidine
CID 19874379
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
4-[cyclohepta-1,4,6-trien-1-yl(phenyl)methoxy]-1-methylpiperidine;ethyl formate
CID 143127807
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone
CID 101180270

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane?
The IUPAC name of ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane (CID 143176394) is ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane.
What is the SMILES notation for ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane?
The canonical SMILES for ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane is CC.CC(C)C(OC1CCN(C)CC1)c1ccccc1.CCC.
What is the InChIKey of ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane?
The InChIKey is NDBDOTWSBMZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C3H8.C2H6/c1-13(2)16(14-7-5-4-6-8-14)18-15-9-11-17(3)12-10-15;1-3-2;1-2/h4-8,13,15-16H,9-12H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane?
ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane has a molecular weight of 321.55 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane is sourced from PubChem (CID 143176394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).