About N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane
N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane (PubChem CID 158755393) has the molecular formula C46H76N4
and a molecular weight of 685.14 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane.
Molecular Properties
| Compound Name | N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane |
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| PubChem CID | 158755393 |
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| Molecular Formula | C46H76N4 |
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| Molecular Weight | 685.14 g/mol |
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| Exact Mass | 684.61 |
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| IUPAC Name | N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane |
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| SMILES | CC.CC.CCN1CCC(N(CC2CCCCC2)c2ccccc2)CC1.CCN1CCC(n2c(CC3CCCCC3)cc3ccccc32)CC1 |
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| InChI | InChI=1S/C22H32N2.C20H32N2.2C2H6/c1-2-23-14-12-20(13-15-23)24-21(16-18-8-4-3-5-9-18)17-19-10-6-7-11-22(19)24;1-2-21-15-13-20(14-16-21)22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18;2*1-2/h6-7,10-11,17-18,20H,2-5,8-9,12-16H2,1H3;4,7-8,11-12,18,20H,2-3,5-6,9-10,13-17H2,1H3;2*1-2H3 |
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| InChIKey | INZVUZYIYKMPNX-UHFFFAOYSA-N |
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| XLogP | 12.03 |
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| TPSA | 14.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 685.14 |
| LogP ≤ 5 | 12.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane?
The IUPAC name of N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane (CID 158755393) is N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane is CC.CC.CCN1CCC(N(CC2CCCCC2)c2ccccc2)CC1.CCN1CCC(n2c(CC3CCCCC3)cc3ccccc32)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane?
The InChIKey is INZVUZYIYKMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2.C20H32N2.2C2H6/c1-2-23-14-12-20(13-15-23)24-21(16-18-8-4-3-5-9-18)17-19-10-6-7-11-22(19)24;1-2-21-15-13-20(14-16-21)22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18;2*1-2/h6-7,10-11,17-18,20H,2-5,8-9,12-16H2,1H3;4,7-8,11-12,18,20H,2-3,5-6,9-10,13-17H2,1H3;2*1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane?
N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane has a molecular weight of 685.14 g/mol, XLogP of 12.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethyl-N-phenylpiperidin-4-amine;2-(cyclohexylmethyl)-1-(1-ethylpiperidin-4-yl)indole;ethane is sourced from PubChem (CID 158755393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).