benzene;ethane;1-ethyl-4-propylpiperidine

C18H33N — CID 90839666

IUPACbenzene;ethane;1-ethyl-4-propylpiperidine
SMILESCC.CCCC1CCN(CC)CC1.c1ccccc1
InChIInChI=1S/C10H21N.C6H6.C2H6/c1-3-5-10-6-8-11(4-2)9-7-10;1-2-4-6-5-3-1;1-2/h10H,3-9H2,1-2H3;1-6H;1-2H3
InChIKeyCOYWMYFHCITNGP-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.23
Rot. Bonds3

About benzene;ethane;1-ethyl-4-propylpiperidine

benzene;ethane;1-ethyl-4-propylpiperidine (PubChem CID 90839666) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is benzene;ethane;1-ethyl-4-propylpiperidine.

Molecular Properties

Compound Namebenzene;ethane;1-ethyl-4-propylpiperidine
PubChem CID90839666
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Namebenzene;ethane;1-ethyl-4-propylpiperidine
SMILESCC.CCCC1CCN(CC)CC1.c1ccccc1
InChIInChI=1S/C10H21N.C6H6.C2H6/c1-3-5-10-6-8-11(4-2)9-7-10;1-2-4-6-5-3-1;1-2/h10H,3-9H2,1-2H3;1-6H;1-2H3
InChIKeyCOYWMYFHCITNGP-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze benzene;ethane;1-ethyl-4-propylpiperidine 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

4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
1,4-diethylpiperidine;ethane
CID 143709904
1-ethyl-N-(4-propylcyclohexyl)piperidin-4-amine
CID 60663750
1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
CID 171641837
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
benzene;4-(bromomethyl)-1-ethylpiperidine;formic acid
CID 177362556
1-(methoxymethyl)-4-propylpiperidine
CID 18738071
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
CID 166535515

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-ethyl-4-propylpiperidine?
The IUPAC name of benzene;ethane;1-ethyl-4-propylpiperidine (CID 90839666) is benzene;ethane;1-ethyl-4-propylpiperidine.
What is the SMILES notation for benzene;ethane;1-ethyl-4-propylpiperidine?
The canonical SMILES for benzene;ethane;1-ethyl-4-propylpiperidine is CC.CCCC1CCN(CC)CC1.c1ccccc1.
What is the InChIKey of benzene;ethane;1-ethyl-4-propylpiperidine?
The InChIKey is COYWMYFHCITNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C6H6.C2H6/c1-3-5-10-6-8-11(4-2)9-7-10;1-2-4-6-5-3-1;1-2/h10H,3-9H2,1-2H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;1-ethyl-4-propylpiperidine?
benzene;ethane;1-ethyl-4-propylpiperidine has a molecular weight of 263.47 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-ethyl-4-propylpiperidine is sourced from PubChem (CID 90839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).