ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine

C19H32N2 — CID 171070213

IUPACethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
SMILESCC.Cc1ccc(C2CCN(CC3CN(C)C3)CC2)cc1
InChIInChI=1S/C17H26N2.C2H6/c1-14-3-5-16(6-4-14)17-7-9-19(10-8-17)13-15-11-18(2)12-15;1-2/h3-6,15,17H,7-13H2,1-2H3;1-2H3
InChIKeyOVFMCVNGFIPTKM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.76
Rot. Bonds3

About ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine

ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine (PubChem CID 171070213) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Nameethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
PubChem CID171070213
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
SMILESCC.Cc1ccc(C2CCN(CC3CN(C)C3)CC2)cc1
InChIInChI=1S/C17H26N2.C2H6/c1-14-3-5-16(6-4-14)17-7-9-19(10-8-17)13-15-11-18(2)12-15;1-2/h3-6,15,17H,7-13H2,1-2H3;1-2H3
InChIKeyOVFMCVNGFIPTKM-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
CID 134579505
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
ethane;1-methyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine;1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171070146
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
CID 171069822
3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 142368102
1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
CID 155742728
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
CID 155068602

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine?
The IUPAC name of ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine (CID 171070213) is ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine.
What is the SMILES notation for ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine?
The canonical SMILES for ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine is CC.Cc1ccc(C2CCN(CC3CN(C)C3)CC2)cc1.
What is the InChIKey of ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine?
The InChIKey is OVFMCVNGFIPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H6/c1-14-3-5-16(6-4-14)17-7-9-19(10-8-17)13-15-11-18(2)12-15;1-2/h3-6,15,17H,7-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine?
ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine has a molecular weight of 288.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine is sourced from PubChem (CID 171070213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).