ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine

C18H31N — CID 176679187

IUPACethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
SMILESCC.CCN1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H25N.C2H6/c1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;1-2/h5-8,13,16H,4,9-12H2,1-3H3;1-2H3
InChIKeyMVTXHWLNXVDIRG-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.04
Rot. Bonds3

About ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine

ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine (PubChem CID 176679187) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
PubChem CID176679187
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Nameethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
SMILESCC.CCN1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H25N.C2H6/c1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;1-2/h5-8,13,16H,4,9-12H2,1-3H3;1-2H3
InChIKeyMVTXHWLNXVDIRG-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
CID 155068602
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen
CID 155707716
1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine
CID 157084052
ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
CID 167448079
1-ethyl-4-(3-iodo-4-methylphenyl)piperidine
CID 146412491
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
CID 160992069
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine (CID 176679187) is ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine is CC.CCN1CCC(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine?
The InChIKey is MVTXHWLNXVDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C2H6/c1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;1-2/h5-8,13,16H,4,9-12H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine?
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine has a molecular weight of 261.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 176679187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).