1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine

C100H138Cl2N10O — CID 158046594

IUPAC1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESCC(=O)c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Cc1ccc(N2CCN(CC3CC4C=CC3C4)CC2)cc1.Clc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Clc1cccc(N2CCN(CC3CC=CCC3)CC2)c1
InChIInChI=1S/C22H30N2O.C22H32N2.C20H27ClN2.C19H26N2.C17H23ClN2/c1-15(25)18-2-4-21(5-3-18)23-6-8-24(9-7-23)22-19-11-16-10-17(13-19)14-20(22)12-16;1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17;21-18-2-1-3-19(13-18)22-4-6-23(7-5-22)20-16-9-14-8-15(11-16)12-17(20)10-14;1-15-2-6-19(7-3-15)21-10-8-20(9-11-21)14-18-13-16-4-5-17(18)12-16;18-16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h2-5,16-17,19-20,22H,6-14H2,1H3;3-4,9,17-20,22H,5-8,10-14H2,1-2H3;1-3,13-17,20H,4-12H2;2-7,16-18H,8-14H2,1H3;1-2,4,7-8,13,15H,3,5-6,9-12,14H2
InChIKeyFIZIJFSBIXRQGD-UHFFFAOYSA-N
MW1567.18 g/mol
LogP19.52
Rot. Bonds13

About 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine

1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine (PubChem CID 158046594) has the molecular formula C100H138Cl2N10O and a molecular weight of 1567.18 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
PubChem CID158046594
Molecular FormulaC100H138Cl2N10O
Molecular Weight1567.18 g/mol
Exact Mass1565.04
IUPAC Name1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESCC(=O)c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Cc1ccc(N2CCN(CC3CC4C=CC3C4)CC2)cc1.Clc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Clc1cccc(N2CCN(CC3CC=CCC3)CC2)c1
InChIInChI=1S/C22H30N2O.C22H32N2.C20H27ClN2.C19H26N2.C17H23ClN2/c1-15(25)18-2-4-21(5-3-18)23-6-8-24(9-7-23)22-19-11-16-10-17(13-19)14-20(22)12-16;1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17;21-18-2-1-3-19(13-18)22-4-6-23(7-5-22)20-16-9-14-8-15(11-16)12-17(20)10-14;1-15-2-6-19(7-3-15)21-10-8-20(9-11-21)14-18-13-16-4-5-17(18)12-16;18-16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h2-5,16-17,19-20,22H,6-14H2,1H3;3-4,9,17-20,22H,5-8,10-14H2,1-2H3;1-3,13-17,20H,4-12H2;2-7,16-18H,8-14H2,1H3;1-2,4,7-8,13,15H,3,5-6,9-12,14H2
InChIKeyFIZIJFSBIXRQGD-UHFFFAOYSA-N
XLogP19.52
TPSA49.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.18
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine with MolForge

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Related Compounds

1-[4-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 7440820
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine
CID 159751711
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 98124191
1-(2-bicyclo[3.2.1]oct-6-enylmethyl)-4-(2-methylphenyl)piperazine;ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]piperidine-1-carboxylate
CID 143025720
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 18555364
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylsulfanylphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxy-5-methylphenyl)piperazine
CID 157488175
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(5-chloro-2-methoxyphenyl)piperazine;1-(2-bicyclo[3.2.0]hept-6-enylmethyl)-4-(4,5-difluoro-2-methoxyphenyl)piperazine;1-(3-bicyclo[3.2.1]octanyl)-4-(2,5-dimethylphenyl)piperazine;ethyl 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxylate;ethyl 2-[4-(2-chlorophenyl)piperazin-1-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-carboxylate
CID 159197268
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
CID 139403732
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 11934624
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 11934625
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 142164376
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The IUPAC name of 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine (CID 158046594) is 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine is CC(=O)c1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Cc1ccc(N2CCN(CC3CC4C=CC3C4)CC2)cc1.Clc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.Clc1cccc(N2CCN(CC3CC=CCC3)CC2)c1.
What is the InChIKey of 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The InChIKey is FIZIJFSBIXRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.C22H32N2.C20H27ClN2.C19H26N2.C17H23ClN2/c1-15(25)18-2-4-21(5-3-18)23-6-8-24(9-7-23)22-19-11-16-10-17(13-19)14-20(22)12-16;1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17;21-18-2-1-3-19(13-18)22-4-6-23(7-5-22)20-16-9-14-8-15(11-16)12-17(20)10-14;1-15-2-6-19(7-3-15)21-10-8-20(9-11-21)14-18-13-16-4-5-17(18)12-16;18-16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h2-5,16-17,19-20,22H,6-14H2,1H3;3-4,9,17-20,22H,5-8,10-14H2,1-2H3;1-3,13-17,20H,4-12H2;2-7,16-18H,8-14H2,1H3;1-2,4,7-8,13,15H,3,5-6,9-12,14H2.
What are the key properties of 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine has a molecular weight of 1567.18 g/mol, XLogP of 19.52, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(3-chlorophenyl)piperazine;1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine;1-[4-[4-(2-adamantyl)piperazin-1-yl]phenyl]ethanone;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(4-methylphenyl)piperazine;1-(3-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine is sourced from PubChem (CID 158046594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).