ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine

C19H32N2 — CID 171069599

IUPACethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine
SMILESCC.CCC1CN(CC2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N2.C2H6/c1-2-15-12-18(13-15)14-16-8-10-19(11-9-16)17-6-4-3-5-7-17;1-2/h3-7,15-16H,2,8-14H2,1H3;1-2H3
InChIKeyIHUOSPYWOUIPOC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.27
Rot. Bonds4

About ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine

ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine (PubChem CID 171069599) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine.

Molecular Properties

Compound Nameethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine
PubChem CID171069599
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine
SMILESCC.CCC1CN(CC2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N2.C2H6/c1-2-15-12-18(13-15)14-16-8-10-19(11-9-16)17-6-4-3-5-7-17;1-2/h3-7,15-16H,2,8-14H2,1H3;1-2H3
InChIKeyIHUOSPYWOUIPOC-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 171070135
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-benzyl-3-ethylpyrrolidine
CID 12648208
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine?
The IUPAC name of ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine (CID 171069599) is ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine.
What is the SMILES notation for ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine?
The canonical SMILES for ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine is CC.CCC1CN(CC2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine?
The InChIKey is IHUOSPYWOUIPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H6/c1-2-15-12-18(13-15)14-16-8-10-19(11-9-16)17-6-4-3-5-7-17;1-2/h3-7,15-16H,2,8-14H2,1H3;1-2H3.
What are the key properties of ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine?
ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine has a molecular weight of 288.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine is sourced from PubChem (CID 171069599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).