ethane;4-methyl-4-phenylpiperidine

C14H23N — CID 91476557

IUPACethane;4-methyl-4-phenylpiperidine
SMILESCC.CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17N.C2H6/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-2/h2-6,13H,7-10H2,1H3;1-2H3
InChIKeyPQTZGRBIAKIMHJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.35
Rot. Bonds1

About ethane;4-methyl-4-phenylpiperidine

ethane;4-methyl-4-phenylpiperidine (PubChem CID 91476557) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;4-methyl-4-phenylpiperidine.

Molecular Properties

Compound Nameethane;4-methyl-4-phenylpiperidine
PubChem CID91476557
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;4-methyl-4-phenylpiperidine
SMILESCC.CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H17N.C2H6/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-2/h2-6,13H,7-10H2,1H3;1-2H3
InChIKeyPQTZGRBIAKIMHJ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-4-phenylazepane
CID 89410025
3-methyl-3-phenylpyrrolidine
CID 21098616
ethane;4-methoxy-4-phenylpiperidine
CID 144662797
methanimine;(1-methylcyclopropyl)benzene
CID 163372964
methane;(1-methylcyclopentyl)benzene
CID 143499824
ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
CID 63156729
N-ethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63154834
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 167027018
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-4-phenylpiperidine?
The IUPAC name of ethane;4-methyl-4-phenylpiperidine (CID 91476557) is ethane;4-methyl-4-phenylpiperidine.
What is the SMILES notation for ethane;4-methyl-4-phenylpiperidine?
The canonical SMILES for ethane;4-methyl-4-phenylpiperidine is CC.CC1(c2ccccc2)CCNCC1.
What is the InChIKey of ethane;4-methyl-4-phenylpiperidine?
The InChIKey is PQTZGRBIAKIMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;1-2/h2-6,13H,7-10H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-4-phenylpiperidine?
ethane;4-methyl-4-phenylpiperidine has a molecular weight of 205.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-4-phenylpiperidine is sourced from PubChem (CID 91476557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).