ethane;4-methoxy-4-phenylpiperidine

C16H29NO — CID 144662797

IUPACethane;4-methoxy-4-phenylpiperidine
SMILESCC.CC.COC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17NO.2C2H6/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11;2*1-2/h2-6,13H,7-10H2,1H3;2*1-2H3
InChIKeyNINNILJBHJXEGI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.96
Rot. Bonds2

About ethane;4-methoxy-4-phenylpiperidine

ethane;4-methoxy-4-phenylpiperidine (PubChem CID 144662797) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is ethane;4-methoxy-4-phenylpiperidine.

Molecular Properties

Compound Nameethane;4-methoxy-4-phenylpiperidine
PubChem CID144662797
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Nameethane;4-methoxy-4-phenylpiperidine
SMILESCC.CC.COC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17NO.2C2H6/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11;2*1-2/h2-6,13H,7-10H2,1H3;2*1-2H3
InChIKeyNINNILJBHJXEGI-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-methoxy-4-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

4-(4-fluorophenyl)-4-methoxypiperidine
CID 68567119
ethane;4-methyl-4-phenylpiperidine
CID 91476557
4-(3-fluorophenyl)-4-methoxypiperidine
CID 105463022
4-methoxy-4-phenyloxane
CID 21049814
4-(5-methoxypentoxy)-4-phenylpiperidine
CID 173252036
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
8-methoxy-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 22492982
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030
4-methyl-4-phenylazepane
CID 89410025

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-4-phenylpiperidine?
The IUPAC name of ethane;4-methoxy-4-phenylpiperidine (CID 144662797) is ethane;4-methoxy-4-phenylpiperidine.
What is the SMILES notation for ethane;4-methoxy-4-phenylpiperidine?
The canonical SMILES for ethane;4-methoxy-4-phenylpiperidine is CC.CC.COC1(c2ccccc2)CCNCC1.
What is the InChIKey of ethane;4-methoxy-4-phenylpiperidine?
The InChIKey is NINNILJBHJXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2C2H6/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11;2*1-2/h2-6,13H,7-10H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-4-phenylpiperidine?
ethane;4-methoxy-4-phenylpiperidine has a molecular weight of 251.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-4-phenylpiperidine is sourced from PubChem (CID 144662797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).