1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine

C115H178Cl2N6O8 — CID 167684186

IUPAC1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine
SMILESCC(C)=CC(COc1ccc(Cl)cc1)N1CCC(C)CC1.CC(C)=CC(COc1ccc(Cl)cc1)N1CCC(CCO)CC1.CC(C)=CC(COc1ccccc1)N1CCC(C)CC1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.COCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H35NO2.C19H28ClNO2.2C19H31NO.C18H26ClNO.C18H27NO/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4;1-15(2)13-18(14-23-19-5-3-17(20)4-6-19)21-10-7-16(8-11-21)9-12-22;2*1-14(2)12-18(20-13-15(3)4)19(6,7)21-17-10-8-16(5)9-11-17;1-14(2)12-17(20-10-8-15(3)9-11-20)13-21-18-6-4-16(19)5-7-18;1-15(2)13-17(19-11-9-16(3)10-12-19)14-20-18-7-5-4-6-8-18/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3;3-6,13,16,18,22H,7-12,14H2,1-2H3;2*8-12,15,18,20H,13H2,1-7H3;4-7,12,15,17H,8-11,13H2,1-3H3;4-8,13,16-17H,9-12,14H2,1-3H3
InChIKeyVZBQCUSKYPEAIK-UHFFFAOYSA-N
MW1843.63 g/mol
LogP27.38
Rot. Bonds40

About 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine

1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine (PubChem CID 167684186) has the molecular formula C115H178Cl2N6O8 and a molecular weight of 1843.63 g/mol. Its IUPAC name is 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine
PubChem CID167684186
Molecular FormulaC115H178Cl2N6O8
Molecular Weight1843.63 g/mol
Exact Mass1841.31
IUPAC Name1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine
SMILESCC(C)=CC(COc1ccc(Cl)cc1)N1CCC(C)CC1.CC(C)=CC(COc1ccc(Cl)cc1)N1CCC(CCO)CC1.CC(C)=CC(COc1ccccc1)N1CCC(C)CC1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.COCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H35NO2.C19H28ClNO2.2C19H31NO.C18H26ClNO.C18H27NO/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4;1-15(2)13-18(14-23-19-5-3-17(20)4-6-19)21-10-7-16(8-11-21)9-12-22;2*1-14(2)12-18(20-13-15(3)4)19(6,7)21-17-10-8-16(5)9-11-17;1-14(2)12-17(20-10-8-15(3)9-11-20)13-21-18-6-4-16(19)5-7-18;1-15(2)13-17(19-11-9-16(3)10-12-19)14-20-18-7-5-4-6-8-18/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3;3-6,13,16,18,22H,7-12,14H2,1-2H3;2*8-12,15,18,20H,13H2,1-7H3;4-7,12,15,17H,8-11,13H2,1-3H3;4-8,13,16-17H,9-12,14H2,1-3H3
InChIKeyVZBQCUSKYPEAIK-UHFFFAOYSA-N
XLogP27.38
TPSA121.86 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001843.63
LogP ≤ 527.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine?
The IUPAC name of 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine (CID 167684186) is 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine.
What is the SMILES notation for 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine?
The canonical SMILES for 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine is CC(C)=CC(COc1ccc(Cl)cc1)N1CCC(C)CC1.CC(C)=CC(COc1ccc(Cl)cc1)N1CCC(CCO)CC1.CC(C)=CC(COc1ccccc1)N1CCC(C)CC1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.CC(C)=CC(NCC(C)C)C(C)(C)Oc1ccc(C)cc1.COCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine?
The InChIKey is VZBQCUSKYPEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2.C19H28ClNO2.2C19H31NO.C18H26ClNO.C18H27NO/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4;1-15(2)13-18(14-23-19-5-3-17(20)4-6-19)21-10-7-16(8-11-21)9-12-22;2*1-14(2)12-18(20-13-15(3)4)19(6,7)21-17-10-8-16(5)9-11-17;1-14(2)12-17(20-10-8-15(3)9-11-20)13-21-18-6-4-16(19)5-7-18;1-15(2)13-17(19-11-9-16(3)10-12-19)14-20-18-7-5-4-6-8-18/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3;3-6,13,16,18,22H,7-12,14H2,1-2H3;2*8-12,15,18,20H,13H2,1-7H3;4-7,12,15,17H,8-11,13H2,1-3H3;4-8,13,16-17H,9-12,14H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine?
1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine has a molecular weight of 1843.63 g/mol, XLogP of 27.38, 40 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine is sourced from PubChem (CID 167684186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).